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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:40:01 UTC

Update Date

2022-03-07 02:55:19 UTC

HMDB ID

HMDB0037420

Secondary Accession Numbers

HMDB37420

Metabolite Identification

Common Name

Maysin 3'-methyl ether

Description

Maysin 3'-methyl ether belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Maysin 3'-methyl ether has been detected, but not quantified in, a few different foods, such as breakfast cereal, cereals and cereal products, and corns (Zea mays). This could make maysin 3'-methyl ether a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Maysin 3'-methyl ether.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02241208062D          

 42 46  0  0  0  0            999 V2000
   -1.0724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3575   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3575    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010    2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010    2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295    2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6430   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4996   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9295   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6430   -2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010   -2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3580   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6444   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295   -2.8873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
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 21 27  1  0  0  0  0
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 33 34  1  0  0  0  0
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 34 40  1  0  0  0  0
 36 39  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END

HMDB0037420
     RDKit          3D
Maysin 3'-methyl ether
 72 76  0  0  0  0  0  0  0  0999 V2000
    9.0917    1.1722    2.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4657    0.4900    1.8145 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5740    0.0804    0.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2065    0.3473    0.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3192   -0.0616    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833    0.1959    0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3366    1.1195    0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9527    1.3569    0.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124    2.2030    1.6974 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    0.6673    0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    0.8375    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1142    1.7362    0.8405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746    0.0750   -0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4186    0.3013   -4.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2228    1.2513    1.6077 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4288    2.1342    2.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2015    0.3556    0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3981   -0.8930   -0.4059 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9438   -1.6134    2.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4121   -2.0176    1.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4568   -1.5853   -2.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7446   -1.3951   -1.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 38  6  1  0
 37 10  1  0
 22 14  1  0
 32 24  1  0
  1 43  1  0
  1 44  1  0
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  4 46  1  0
  7 47  1  0
 12 48  1  0
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 32 66  1  0
 33 67  1  0
 35 68  1  0
 36 69  1  0
 39 70  1  0
 40 71  1  0
 42 72  1  0
M  END


  Mrv0541 02241208062D          

 42 46  0  0  0  0            999 V2000
   -1.0724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3580   -2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3580   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6444   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6444   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295   -2.8873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 38  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 40  1  0  0  0  0
 36 39  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037420

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(C3OC(C)C(=O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C28H30O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20,23-29,31-32,34-37H,1-3H3

> <INCHI_KEY>
OKTXLUXOQRQVRH-UHFFFAOYSA-N

> <FORMULA>
C28H30O14

> <MOLECULAR_WEIGHT>
590.5294

> <EXACT_MASS>
590.163555668

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
58.23780165421156

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4H-chromen-4-one

> <ALOGPS_LOGP>
1.54

> <JCHEM_LOGP>
0.729857424999999

> <ALOGPS_LOGS>
-2.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.721041295493496

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.197160362200068

> <JCHEM_PKA_STRONGEST_BASIC>
-3.612182614118953

> <JCHEM_POLAR_SURFACE_AREA>
221.89999999999995

> <JCHEM_REFRACTIVITY>
141.0546

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.43e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037420
     RDKit          3D
Maysin 3'-methyl ether
 72 76  0  0  0  0  0  0  0  0999 V2000
    9.0917    1.1722    2.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4657    0.4900    1.8145 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5740    0.0804    0.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2065    0.3473    0.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3192   -0.0616    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833    0.1959    0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3366    1.1195    0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9527    1.3569    0.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124    2.2030    1.6974 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    0.6673    0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    0.8375    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1142    1.7362    0.8405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746    0.0750   -0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5297    0.3998   -0.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505    0.7264   -2.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8181    0.2887   -2.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4186    0.3013   -4.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792   -1.1051   -2.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8416   -1.7196   -3.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7457   -1.7649   -1.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285   -2.4621   -0.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3689   -0.7308   -0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6577   -0.1844   -0.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8193   -0.0586    1.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2228    1.2513    1.6077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4998    1.5105    1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4288    2.1342    2.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2015    0.3556    0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5641    0.7137    0.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1690   -0.9234    1.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2041   -1.0039    2.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8206   -1.0224    1.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9025   -0.5814    3.2878 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5561   -0.8200   -1.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1573   -1.6045   -2.5926 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9279   -0.9544   -1.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478   -0.2490   -0.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0509   -0.4367   -0.7491 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8312   -0.7477   -1.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1736   -1.0418   -1.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0478   -0.6201   -0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3981   -0.8930   -0.4059 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9749    1.6481    3.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3257    1.9535    2.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6547    0.3956    3.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8296    0.8903    1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9840    1.6669    1.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214    2.3444    1.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7028    1.2913   -0.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6924    0.9847   -2.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6248    1.0684   -4.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3097    0.4551   -5.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9870   -0.6876   -4.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -2.6283   -1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5096   -2.8865   -0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020   -1.0953    0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8753   -0.2714    1.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3678    2.2894    0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1158    1.3610    2.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1296    2.8861    1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9444    2.6295    2.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8923    0.1955   -0.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0962   -0.0683    0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2777   -1.7545    0.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9438   -1.6134    2.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4121   -2.0176    1.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1277   -0.0386    3.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476   -2.2267   -3.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3841   -1.6889   -2.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287   -1.0793   -1.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4568   -1.5853   -2.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7446   -1.3951   -1.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 13 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  2  0
 37 38  1  0
  5 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 41  3  1  0
 38  6  1  0
 37 10  1  0
 22 14  1  0
 32 24  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  4 46  1  0
  7 47  1  0
 12 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 17 52  1  0
 17 53  1  0
 20 54  1  0
 21 55  1  0
 22 56  1  0
 24 57  1  0
 26 58  1  0
 27 59  1  0
 27 60  1  0
 27 61  1  0
 28 62  1  0
 29 63  1  0
 30 64  1  0
 31 65  1  0
 32 66  1  0
 33 67  1  0
 35 68  1  0
 36 69  1  0
 39 70  1  0
 40 71  1  0
 42 72  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -2.002   0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.002  -0.770   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -3.334  -1.540   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -0.667  -1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.667  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.667   0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.667   3.080   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -4.669   5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.669   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.000   3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.000   1.540   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -7.335   0.770   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -3.334   3.080   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -3.334   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.669   0.770   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.669  -0.770   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       1.999   3.080   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.999   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.334   0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.334  -0.770   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.999  -1.540   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -7.335   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       8.667  -0.770   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       7.335  -1.540   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.000  -0.770   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.666  -1.540   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.666  -3.080   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.000  -3.850   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.335  -3.080   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       8.667  -3.850   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -7.335  -0.770   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -6.000  -1.540   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -6.000  -3.080   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -4.669  -3.850   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0     -10.002  -3.850   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0     -10.002  -0.770   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.670  -1.540   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -8.670  -3.080   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -7.335  -3.850   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -7.335  -5.390   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      10.002  -1.540   0.000  0.00  0.00           C+0
CONECT    1    2    7   15                                                  
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   22                                                  
CONECT    6    5    7   19                                                  
CONECT    7    1    6    8                                                  
CONECT    8    7                                                            
CONECT    9   10                                                            
CONECT   10    9   11   14                                                  
CONECT   11   10   12   23                                                  
CONECT   12   11   13   16                                                  
CONECT   13   12                                                            
CONECT   14   10   15                                                       
CONECT   15    1   14   16                                                  
CONECT   16   12   15   17                                                  
CONECT   17   16   33                                                       
CONECT   18   19                                                            
CONECT   19    6   18   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   27                                                  
CONECT   22    5   21                                                       
CONECT   23   11                                                            
CONECT   24   25   42                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   21   26   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   25   29   31                                                  
CONECT   31   30                                                            
CONECT   32   33   38                                                       
CONECT   33   17   32   34                                                  
CONECT   34   33   35   40                                                  
CONECT   35   34                                                            
CONECT   36   39                                                            
CONECT   37   38                                                            
CONECT   38   32   37   39                                                  
CONECT   39   36   38   40                                                  
CONECT   40   34   39   41                                                  
CONECT   41   40                                                            
CONECT   42   24                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

COMPND    HMDB0037420
HETATM    1  C1  UNL     1       9.092   1.172   2.972  1.00  0.00           C  
HETATM    2  O1  UNL     1       9.466   0.490   1.814  1.00  0.00           O  
HETATM    3  C2  UNL     1       8.574   0.080   0.845  1.00  0.00           C  
HETATM    4  C3  UNL     1       7.207   0.347   0.959  1.00  0.00           C  
HETATM    5  C4  UNL     1       6.319  -0.062   0.008  1.00  0.00           C  
HETATM    6  C5  UNL     1       4.883   0.196   0.036  1.00  0.00           C  
HETATM    7  C6  UNL     1       4.337   1.120   0.889  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.953   1.357   0.901  1.00  0.00           C  
HETATM    9  O2  UNL     1       2.512   2.203   1.697  1.00  0.00           O  
HETATM   10  C8  UNL     1       2.110   0.667   0.059  1.00  0.00           C  
HETATM   11  C9  UNL     1       0.748   0.837   0.030  1.00  0.00           C  
HETATM   12  O3  UNL     1       0.114   1.736   0.841  1.00  0.00           O  
HETATM   13  C10 UNL     1      -0.075   0.075  -0.856  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.530   0.400  -0.917  1.00  0.00           C  
HETATM   15  O4  UNL     1      -1.750   0.726  -2.247  1.00  0.00           O  
HETATM   16  C12 UNL     1      -2.818   0.289  -2.914  1.00  0.00           C  
HETATM   17  C13 UNL     1      -2.419   0.301  -4.423  1.00  0.00           C  
HETATM   18  C14 UNL     1      -3.179  -1.105  -2.640  1.00  0.00           C  
HETATM   19  O5  UNL     1      -3.842  -1.720  -3.441  1.00  0.00           O  
HETATM   20  C15 UNL     1      -2.746  -1.765  -1.401  1.00  0.00           C  
HETATM   21  O6  UNL     1      -3.929  -2.462  -0.866  1.00  0.00           O  
HETATM   22  C16 UNL     1      -2.369  -0.731  -0.434  1.00  0.00           C  
HETATM   23  O7  UNL     1      -3.658  -0.184  -0.033  1.00  0.00           O  
HETATM   24  C17 UNL     1      -3.819  -0.059   1.301  1.00  0.00           C  
HETATM   25  O8  UNL     1      -4.223   1.251   1.608  1.00  0.00           O  
HETATM   26  C18 UNL     1      -5.500   1.510   1.115  1.00  0.00           C  
HETATM   27  C19 UNL     1      -6.429   2.134   2.116  1.00  0.00           C  
HETATM   28  C20 UNL     1      -6.201   0.356   0.491  1.00  0.00           C  
HETATM   29  O9  UNL     1      -7.564   0.714   0.413  1.00  0.00           O  
HETATM   30  C21 UNL     1      -6.169  -0.923   1.295  1.00  0.00           C  
HETATM   31  O10 UNL     1      -7.204  -1.004   2.203  1.00  0.00           O  
HETATM   32  C22 UNL     1      -4.821  -1.022   1.946  1.00  0.00           C  
HETATM   33  O11 UNL     1      -4.902  -0.581   3.288  1.00  0.00           O  
HETATM   34  C23 UNL     1       0.556  -0.820  -1.674  1.00  0.00           C  
HETATM   35  O12 UNL     1      -0.157  -1.605  -2.593  1.00  0.00           O  
HETATM   36  C24 UNL     1       1.928  -0.954  -1.608  1.00  0.00           C  
HETATM   37  C25 UNL     1       2.748  -0.249  -0.771  1.00  0.00           C  
HETATM   38  O13 UNL     1       4.051  -0.437  -0.749  1.00  0.00           O  
HETATM   39  C26 UNL     1       6.831  -0.748  -1.072  1.00  0.00           C  
HETATM   40  C27 UNL     1       8.174  -1.042  -1.245  1.00  0.00           C  
HETATM   41  C28 UNL     1       9.048  -0.620  -0.272  1.00  0.00           C  
HETATM   42  O14 UNL     1      10.398  -0.893  -0.406  1.00  0.00           O  
HETATM   43  H1  UNL     1       9.975   1.648   3.478  1.00  0.00           H  
HETATM   44  H2  UNL     1       8.326   1.954   2.840  1.00  0.00           H  
HETATM   45  H3  UNL     1       8.655   0.396   3.670  1.00  0.00           H  
HETATM   46  H4  UNL     1       6.830   0.890   1.825  1.00  0.00           H  
HETATM   47  H5  UNL     1       4.984   1.667   1.558  1.00  0.00           H  
HETATM   48  H6  UNL     1       0.421   2.344   1.505  1.00  0.00           H  
HETATM   49  H7  UNL     1      -1.703   1.291  -0.257  1.00  0.00           H  
HETATM   50  H8  UNL     1      -3.692   0.985  -2.795  1.00  0.00           H  
HETATM   51  H9  UNL     1      -1.625   1.068  -4.569  1.00  0.00           H  
HETATM   52  H10 UNL     1      -3.310   0.455  -5.037  1.00  0.00           H  
HETATM   53  H11 UNL     1      -1.987  -0.688  -4.640  1.00  0.00           H  
HETATM   54  H12 UNL     1      -2.086  -2.628  -1.536  1.00  0.00           H  
HETATM   55  H13 UNL     1      -3.510  -2.886  -0.049  1.00  0.00           H  
HETATM   56  H14 UNL     1      -1.902  -1.095   0.539  1.00  0.00           H  
HETATM   57  H15 UNL     1      -2.875  -0.271   1.832  1.00  0.00           H  
HETATM   58  H16 UNL     1      -5.368   2.289   0.304  1.00  0.00           H  
HETATM   59  H17 UNL     1      -7.116   1.361   2.577  1.00  0.00           H  
HETATM   60  H18 UNL     1      -7.130   2.886   1.655  1.00  0.00           H  
HETATM   61  H19 UNL     1      -5.944   2.629   2.960  1.00  0.00           H  
HETATM   62  H20 UNL     1      -5.892   0.195  -0.558  1.00  0.00           H  
HETATM   63  H21 UNL     1      -8.096  -0.068   0.108  1.00  0.00           H  
HETATM   64  H22 UNL     1      -6.278  -1.755   0.565  1.00  0.00           H  
HETATM   65  H23 UNL     1      -6.944  -1.613   2.937  1.00  0.00           H  
HETATM   66  H24 UNL     1      -4.412  -2.018   1.952  1.00  0.00           H  
HETATM   67  H25 UNL     1      -4.128  -0.039   3.540  1.00  0.00           H  
HETATM   68  H26 UNL     1       0.348  -2.227  -3.181  1.00  0.00           H  
HETATM   69  H27 UNL     1       2.384  -1.689  -2.290  1.00  0.00           H  
HETATM   70  H28 UNL     1       6.129  -1.079  -1.854  1.00  0.00           H  
HETATM   71  H29 UNL     1       8.457  -1.585  -2.136  1.00  0.00           H  
HETATM   72  H30 UNL     1      10.745  -1.395  -1.206  1.00  0.00           H  
CONECT    1    2   43   44   45
CONECT    2    3
CONECT    3    4    4   41
CONECT    4    5   46
CONECT    5    6   39   39
CONECT    6    7    7   38
CONECT    7    8   47
CONECT    8    9    9   10
CONECT   10   11   11   37
CONECT   11   12   13
CONECT   12   48
CONECT   13   14   34   34
CONECT   14   15   22   49
CONECT   15   16
CONECT   16   17   18   50
CONECT   17   51   52   53
CONECT   18   19   19   20
CONECT   20   21   22   54
CONECT   21   55
CONECT   22   23   56
CONECT   23   24
CONECT   24   25   32   57
CONECT   25   26
CONECT   26   27   28   58
CONECT   27   59   60   61
CONECT   28   29   30   62
CONECT   29   63
CONECT   30   31   32   64
CONECT   31   65
CONECT   32   33   66
CONECT   33   67
CONECT   34   35   36
CONECT   35   68
CONECT   36   37   37   69
CONECT   37   38
CONECT   39   40   70
CONECT   40   41   41   71
CONECT   41   42
CONECT   42   72
END

HMDB0037420
     RDKit          3D
Maysin 3'-methyl ether
 72 76  0  0  0  0  0  0  0  0999 V2000
    9.0917    1.1722    2.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4657    0.4900    1.8145 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5740    0.0804    0.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2065    0.3473    0.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3192   -0.0616    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833    0.1959    0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3366    1.1195    0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9527    1.3569    0.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124    2.2030    1.6974 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    0.6673    0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    0.8375    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1142    1.7362    0.8405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746    0.0750   -0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5297    0.3998   -0.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505    0.7264   -2.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8181    0.2887   -2.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4186    0.3013   -4.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792   -1.1051   -2.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8416   -1.7196   -3.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7457   -1.7649   -1.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285   -2.4621   -0.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3689   -0.7308   -0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6577   -0.1844   -0.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8193   -0.0586    1.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2228    1.2513    1.6077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4998    1.5105    1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4288    2.1342    2.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2015    0.3556    0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5641    0.7137    0.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1690   -0.9234    1.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2041   -1.0039    2.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8206   -1.0224    1.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9025   -0.5814    3.2878 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5561   -0.8200   -1.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1573   -1.6045   -2.5926 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9279   -0.9544   -1.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7478   -0.2490   -0.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0509   -0.4367   -0.7491 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8312   -0.7477   -1.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1736   -1.0418   -1.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0478   -0.6201   -0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3981   -0.8930   -0.4059 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9749    1.6481    3.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3257    1.9535    2.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6547    0.3956    3.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8296    0.8903    1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9840    1.6669    1.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214    2.3444    1.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7028    1.2913   -0.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6924    0.9847   -2.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6248    1.0684   -4.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3097    0.4551   -5.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9870   -0.6876   -4.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -2.6283   -1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5096   -2.8865   -0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020   -1.0953    0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8753   -0.2714    1.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3678    2.2894    0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1158    1.3610    2.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1296    2.8861    1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9444    2.6295    2.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8923    0.1955   -0.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0962   -0.0683    0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2777   -1.7545    0.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9438   -1.6134    2.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4121   -2.0176    1.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1277   -0.0386    3.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476   -2.2267   -3.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3841   -1.6889   -2.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287   -1.0793   -1.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4568   -1.5853   -2.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7446   -1.3951   -1.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 13 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  2  0
 37 38  1  0
  5 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 41  3  1  0
 38  6  1  0
 37 10  1  0
 22 14  1  0
 32 24  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  4 46  1  0
  7 47  1  0
 12 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 17 52  1  0
 17 53  1  0
 20 54  1  0
 21 55  1  0
 22 56  1  0
 24 57  1  0
 26 58  1  0
 27 59  1  0
 27 60  1  0
 27 61  1  0
 28 62  1  0
 29 63  1  0
 30 64  1  0
 31 65  1  0
 32 66  1  0
 33 67  1  0
 35 68  1  0
 36 69  1  0
 39 70  1  0
 40 71  1  0
 42 72  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
3'-Methoxymaysin(incorr.)	HMDB
3'-O-Methylmaysin	HMDB

Chemical Formula

C₂₈H₃₀O₁₄

Average Molecular Weight

590.5294

Monoisotopic Molecular Weight

590.163555668

IUPAC Name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}chromen-4-one

CAS Registry Number

74158-05-7

SMILES

COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(C3OC(C)C(=O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1

InChI Identifier

InChI=1S/C28H30O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20,23-29,31-32,34-37H,1-3H3

InChI Key

OKTXLUXOQRQVRH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid C-glycosides

Alternative Parents

Substituents

Flavonoid c-glycoside
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Phenol
Monocyclic benzene moiety
Benzenoid
Pyran
Oxane
Heteroaromatic compound
Vinylogous acid
Ketone
Secondary alcohol
Cyclic ketone
Polyol
Acetal
Oxacycle
Dialkyl ether
Organoheterocyclic compound
Ether
Organic oxygen compound
Organic oxide
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037420)
Cytoplasm (HMDB: HMDB0037420)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037420)

Source

Exogenous

Exogenous (HMDB: HMDB0037420)

Food

Food (HMDB: HMDB0037420)

Cereal and cereal product

Cereal product

Breakfast cereal (FooDB: FOOD00270)

Cereal

Corn (FooDB: FOOD00205)

Cereals and cereal products (FooDB: FOOD00858)

Endogenous

Plant

Plant (HMDB: HMDB0037420)
Poaceae (HMDB: HMDB0037420)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037420)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.43 g/L	ALOGPS
logP	1.54	ALOGPS
logP	0.73	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	6.2	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	221.9 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	141.05 m³·mol⁻¹	ChemAxon
Polarizability	58.24 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	221.953	30932474
DeepCCS	[M-H]-	219.693	30932474
DeepCCS	[M-2H]-	252.933	30932474
DeepCCS	[M+Na]+	227.824	30932474
AllCCS	[M+H]+	234.7	32859911
AllCCS	[M+H-H2O]+	233.2	32859911
AllCCS	[M+NH4]+	236.0	32859911
AllCCS	[M+Na]+	236.4	32859911
AllCCS	[M-H]-	234.2	32859911
AllCCS	[M+Na-2H]-	236.8	32859911
AllCCS	[M+HCOO]-	239.7	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	5.58 minutes	32390414
Predicted by Siyang on May 30, 2022	12.0177 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	4.98 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	60.4 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	2739.0 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	168.4 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	129.8 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	147.2 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	91.5 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	446.9 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	566.9 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	147.9 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	817.3 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	467.2 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1624.5 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	311.7 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	358.7 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	268.2 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	221.4 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	92.9 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Maysin 3'-methyl ether	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(C3OC(C)C(=O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1	6018.0	Standard polar	33892256
Maysin 3'-methyl ether	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(C3OC(C)C(=O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1	4660.2	Standard non polar	33892256
Maysin 3'-methyl ether	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(C3OC(C)C(=O)C(O)C3OC3OC(C)C(O)C(O)C3O)=C(O)C=C2O1	5341.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Maysin 3'-methyl ether,1TMS,isomer #1	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5253.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TMS,isomer #2	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5209.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TMS,isomer #3	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5250.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TMS,isomer #4	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5258.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TMS,isomer #5	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5240.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TMS,isomer #6	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5237.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TMS,isomer #7	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5236.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TMS,isomer #8	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5144.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TMS,isomer #9	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5183.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #1	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5101.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #10	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5087.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #11	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5035.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #12	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5051.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #13	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5117.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #14	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	4975.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #15	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5014.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #16	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5115.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #17	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5079.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #18	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5097.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #19	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5096.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #2	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5139.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #20	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5055.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #21	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5105.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #22	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5124.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #23	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5112.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #24	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5116.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #25	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5029.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #26	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5099.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #27	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5107.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #28	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5065.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #29	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5004.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #3	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5143.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #30	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5065.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #31	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5083.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #32	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5018.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #33	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5076.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #34	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5013.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #35	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5056.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #4	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5098.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #5	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5120.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #6	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5118.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #7	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5054.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #8	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5127.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TMS,isomer #9	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5058.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #1	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4927.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #10	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4977.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #11	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4978.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #12	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4960.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #13	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5014.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #14	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5001.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #15	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5012.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #16	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	5022.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #17	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4960.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #18	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	5014.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #19	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4995.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #2	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4966.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #20	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4947.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #21	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4917.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #22	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4957.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #23	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4985.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #24	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4950.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #25	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4992.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #26	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4925.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #27	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4966.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #28	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	4885.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #29	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4820.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #3	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4883.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #30	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4847.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #31	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4926.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #32	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	4833.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #33	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	4863.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #34	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4875.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #35	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4882.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #36	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4968.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #37	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	4830.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #38	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	4865.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #39	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4862.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #4	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4926.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #40	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4907.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #41	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4777.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #42	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4790.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #43	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4911.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #44	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4813.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #45	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4822.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #46	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4854.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #47	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4890.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #48	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4923.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #49	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4944.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #5	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4982.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #50	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4948.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #51	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	4925.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #52	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	4965.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #53	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4927.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #54	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4884.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #55	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4881.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #56	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4909.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #57	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4918.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #58	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4921.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #59	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4948.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #6	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4857.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #60	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4907.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #61	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4936.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #62	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4974.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #63	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4949.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #64	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4911.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #65	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4938.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #66	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4957.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #67	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4920.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #68	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4945.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #69	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4908.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #7	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4907.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #70	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4930.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #71	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4940.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #72	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4918.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #73	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4934.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #74	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4861.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #75	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4870.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #76	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4892.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #77	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4893.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #8	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4996.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,3TMS,isomer #9	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4940.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #1	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4797.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #10	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4767.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #100	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4749.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #101	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4760.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #102	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4766.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #103	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4765.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #104	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4750.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #105	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4740.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #11	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4796.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #12	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4747.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #13	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4776.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #14	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4703.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #15	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4712.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #16	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4786.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #17	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4754.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #18	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4752.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #19	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4768.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #2	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4708.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #20	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4805.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #21	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4840.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #22	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4853.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #23	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4859.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #24	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4831.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #25	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4890.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #26	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4820.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #27	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4772.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #28	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4777.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #29	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4820.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #3	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4749.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #30	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4813.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #31	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4827.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #32	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4864.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #33	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4809.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #34	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4858.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #35	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4852.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #36	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4832.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #37	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4824.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #38	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4862.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #39	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4847.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #4	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4794.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #40	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4839.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #41	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4873.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #42	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4829.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #43	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4852.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #44	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4816.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #45	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4821.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #46	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4843.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #47	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4766.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #48	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4773.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #49	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4814.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #5	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4750.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #50	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4812.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #51	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4711.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #52	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4706.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #53	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4772.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #54	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	4703.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #55	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	4742.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #56	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4676.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #57	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4712.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #58	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4652.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #59	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4670.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #6	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4795.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #60	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4703.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #61	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4692.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #62	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4704.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #63	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4739.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #64	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4762.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #65	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4725.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #66	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4759.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #67	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4688.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #68	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4700.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #69	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4759.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #7	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4773.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #70	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4702.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #71	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4702.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #72	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4742.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #73	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4782.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #74	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4729.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #75	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4682.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #76	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4670.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #77	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4713.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #78	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4737.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #79	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4718.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #8	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C	4782.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #80	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4716.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #81	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4797.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #82	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4757.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #83	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4764.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #84	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	4804.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #85	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4771.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #86	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4782.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #87	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4816.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #88	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4777.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #89	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4813.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #9	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C	4850.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #90	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4739.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #91	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4754.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #92	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4780.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #93	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4725.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #94	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4741.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #95	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4763.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #96	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4776.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #97	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	4785.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #98	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4789.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,4TMS,isomer #99	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	4814.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TBDMS,isomer #1	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5439.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TBDMS,isomer #2	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5426.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TBDMS,isomer #3	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5465.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TBDMS,isomer #4	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5490.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TBDMS,isomer #5	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5466.5	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TBDMS,isomer #6	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)=CC=C1O	5459.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TBDMS,isomer #7	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5419.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TBDMS,isomer #8	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C(C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5393.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,1TBDMS,isomer #9	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5434.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #1	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5496.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #10	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5506.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #11	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5465.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #12	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)=CC=C1O	5442.8	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #13	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5534.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #14	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(C)C(O[Si](C)(C)C(C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5407.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #15	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(C)=C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5447.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #16	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5510.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #17	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5469.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #18	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)=CC=C1O	5468.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #19	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5498.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #2	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5510.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #20	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5469.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #21	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5529.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #22	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5514.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #23	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)=CC=C1O	5505.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #24	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5529.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #25	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C(C)(C)C)=C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5449.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #26	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5523.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #27	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)=CC=C1O	5489.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #28	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5488.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #29	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C(C)(C)C)=C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5416.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #3	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5541.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #30	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5475.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #31	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5469.0	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #32	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C(C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)=CC=C1O	5413.1	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #33	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)=CC=C1O	5477.6	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #34	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C(C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5449.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #35	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	5495.9	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #4	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5495.7	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #5	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5491.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #6	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(=O)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5514.3	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #7	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)C(O[Si](C)(C)C(C)(C)C)=C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5470.2	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #8	COC1=CC(C2=CC(=O)C3=C(O)C(C4OC(C)=C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	5543.4	Semi standard non polar	33892256
Maysin 3'-methyl ether,2TBDMS,isomer #9	COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(C)C(=O)C(O[Si](C)(C)C(C)(C)C)C4OC4OC(C)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5472.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (Non-derivatized) - 70eV, Positive	splash10-08fr-5009270000-1293b40ca87abe78f0b5	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (1 TMS) - 70eV, Positive	splash10-052e-9204638000-a8d2320ba2552af423a3	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS ("Maysin 3'-methyl ether,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Maysin 3'-methyl ether GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 10V, Positive-QTOF	splash10-006w-0100970000-b1056c04a2ad7e54e166	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 20V, Positive-QTOF	splash10-0002-0200900000-3fa335e91ba551c327c9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 40V, Positive-QTOF	splash10-004i-1309400000-efa0cd3cb3186ddb0863	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 10V, Negative-QTOF	splash10-000i-1100490000-4f8eef5f02abdd86dbd6	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 20V, Negative-QTOF	splash10-01xy-5413920000-dd0b3507dfd764e03e66	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 40V, Negative-QTOF	splash10-002f-9716400000-09e5dde01799202ee3e2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 10V, Negative-QTOF	splash10-000i-0000090000-49b90f48b5e4672f7049	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 20V, Negative-QTOF	splash10-000i-0000090000-d99ab2d598b606a76390	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 40V, Negative-QTOF	splash10-000i-0922550000-2d79a8a038a0d5a17950	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 10V, Positive-QTOF	splash10-0006-0000090000-fc0e89dcdb69f5e35fda	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 20V, Positive-QTOF	splash10-0006-0000090000-fc0e89dcdb69f5e35fda	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Maysin 3'-methyl ether 40V, Positive-QTOF	splash10-0006-0400890000-b3bf1004c46fe9ca400f	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB016467

KNApSAcK ID

C00006397

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

74977693

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Maysin 3'-methyl ether (HMDB0037420)

MOL for HMDB0037420 (Maysin 3'-methyl ether)

3D MOL for HMDB0037420 (Maysin 3'-methyl ether)

3D SDF for HMDB0037420 (Maysin 3'-methyl ether)

3D-SDF for HMDB0037420 (Maysin 3'-methyl ether)

PDB for HMDB0037420 (Maysin 3'-methyl ether)

3D PDB for HMDB0037420 (Maysin 3'-methyl ether)

SMILES for HMDB0037420 (Maysin 3'-methyl ether)

INCHI for HMDB0037420 (Maysin 3'-methyl ether)

Structure for HMDB0037420 (Maysin 3'-methyl ether)

3D Structure for HMDB0037420 (Maysin 3'-methyl ether)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra