Hmdb loader

Showing metabocard for Isorhamnetin 3-glucuronide (HMDB0240536)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2019-10-11 15:46:08 UTC
Update Date2022-03-07 03:18:18 UTC
HMDB IDHMDB0240536
Secondary Accession NumbersNone
Metabolite Identification
Common NameIsorhamnetin 3-glucuronide
DescriptionIsorhamnetin 3-glucuronide belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position. Based on a literature review a significant number of articles have been published on Isorhamnetin 3-glucuronide.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0240536 (Isorhamnetin 3-glucuronide)


  Mrv1652310111917462D          

 40 43  0  0  1  0            999 V2000
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  2  1  0  0  0  0
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 17 38  1  1  0  0  0
 20 39  1  6  0  0  0
 22 40  1  6  0  0  0
M  END
Download

3D MOL for HMDB0240536 (Isorhamnetin 3-glucuronide)

HMDB0240536
     RDKit          3D
Isorhamnetin 3-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
    1.8225   -4.7535   -1.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213   -3.7233   -1.1709 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6705   -2.5628   -0.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777   -1.4144   -0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2935   -0.2330   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571    1.0175   -0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    2.1488    0.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6640    3.3188    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405    4.4290    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8992    5.6878    0.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7151    6.8030    0.7730 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5604    5.8533    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798    4.7574    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5957    4.9611   -0.1262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2995    3.5166   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4305    2.3888   -0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6692    2.4675   -0.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5982    0.0857   -0.5844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2169   -0.7065    0.4311 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3248   -1.9776   -0.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5291   -2.3779   -0.5302 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0226   -1.6642   -1.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1487   -2.0221   -2.1812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594   -0.6498   -2.3436 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5731   -0.2267    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3604   -1.3319    0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7213   -3.6565   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5058    4.2693    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1260    7.2920    0.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 30 31  1  0
  5 32  2  0
 32 33  1  0
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 34 35  1  0
 34  3  1  0
 18  6  2  0
 30 20  1  0
 15  8  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  9 40  1  0
 11 41  1  0
 12 42  1  0
 14 43  1  0
 20 44  1  1
 22 45  1  6
 25 46  1  0
 26 47  1  6
 27 48  1  0
 28 49  1  1
 29 50  1  0
 30 51  1  6
 31 52  1  0
 32 53  1  0
 33 54  1  0
 35 55  1  0
M  END
Download

3D SDF for HMDB0240536 (Isorhamnetin 3-glucuronide)


  Mrv1652310111917462D          

 40 43  0  0  1  0            999 V2000
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  7  4  2  0  0  0  0
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  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
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 14 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20 16  1  0  0  0  0
 20 21  1  6  0  0  0
 22 17  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  2  0  0  0  0
 15 27  1  1  0  0  0
 16 28  1  6  0  0  0
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 30 21  2  0  0  0  0
 31 21  1  0  0  0  0
 32  1  1  0  0  0  0
 32 11  1  0  0  0  0
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 33 18  1  0  0  0  0
 34 19  1  0  0  0  0
 22 34  1  1  0  0  0
 35 20  1  0  0  0  0
 35 22  1  0  0  0  0
 15 36  1  6  0  0  0
 16 37  1  1  0  0  0
 17 38  1  1  0  0  0
 20 39  1  6  0  0  0
 22 40  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0240536

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1

> <INCHI_KEY>
VVZWHOMBDMMRSC-NTKSAMNMSA-N

> <FORMULA>
C22H20O13

> <MOLECULAR_WEIGHT>
492.3864

> <EXACT_MASS>
492.090390726

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
45.449824135680004

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
1.40

> <JCHEM_LOGP>
0.32133329800000027

> <ALOGPS_LOGS>
-2.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.374370067374957

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.647099411185527

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6868297480420704

> <JCHEM_POLAR_SURFACE_AREA>
212.66999999999993

> <JCHEM_REFRACTIVITY>
113.62519999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0240536 (Isorhamnetin 3-glucuronide)

HMDB0240536
     RDKit          3D
Isorhamnetin 3-glucuronide
 55 58  0  0  0  0  0  0  0  0999 V2000
    1.8225   -4.7535   -1.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213   -3.7233   -1.1709 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6705   -2.5628   -0.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777   -1.4144   -0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2935   -0.2330   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571    1.0175   -0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    2.1488    0.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6640    3.3188    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405    4.4290    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8992    5.6878    0.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7151    6.8030    0.7730 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5604    5.8533    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798    4.7574    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5957    4.9611   -0.1262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2995    3.5166   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4305    2.3888   -0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6692    2.4675   -0.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2318    1.1634   -0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5982    0.0857   -0.5844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2169   -0.7065    0.4311 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3248   -1.9776   -0.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5291   -2.3779   -0.5302 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0226   -1.6642   -1.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1487   -2.0221   -2.1812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594   -0.6498   -2.3436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5751   -2.4024    0.5642 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5790   -3.6750    1.1252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2407   -1.3323    1.5971 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3624   -0.9050    2.2854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5291   -0.1428    0.9260 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2934    0.7646    1.9378 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5731   -0.2267    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3604   -1.3319    0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9104   -2.5136   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7213   -3.6565   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590   -5.7127   -0.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245   -5.1347   -2.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960   -4.8391   -1.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439   -1.4802   -1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5058    4.2693    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1260    7.2920    0.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    6.8285    0.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4092    4.4862   -0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5254   -0.6026    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3873   -3.4482   -0.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1054   -0.6883   -3.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5512   -2.1468    0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -4.1365    0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4753   -1.7791    2.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9181   -1.6981    2.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1677    0.2995    0.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849    1.5552    1.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9436    0.6898    0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3435   -1.2625    0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6279   -3.5837    0.4374 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  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 22 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  5 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34  3  1  0
 18  6  2  0
 30 20  1  0
 15  8  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  9 40  1  0
 11 41  1  0
 12 42  1  0
 14 43  1  0
 20 44  1  1
 22 45  1  6
 25 46  1  0
 26 47  1  6
 27 48  1  0
 28 49  1  1
 29 50  1  0
 30 51  1  6
 31 52  1  0
 32 53  1  0
 33 54  1  0
 35 55  1  0
M  END
Download

PDB for HMDB0240536 (Isorhamnetin 3-glucuronide)

HEADER    PROTEIN                                 11-OCT-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-OCT-19         0                                  
HETATM    1  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   36  H   UNK     0       6.668  -8.470   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       4.001  -8.470   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0       6.668  -3.850   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0       5.335  -6.160   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0       4.001  -3.850   0.000  0.00  0.00           H+0
CONECT    1   32                                                            
CONECT    2    3    7                                                       
CONECT    3    2    9                                                       
CONECT    4    7   11                                                       
CONECT    5    8   10                                                       
CONECT    6    8   12                                                       
CONECT    7    2    4   18                                                  
CONECT    8    5    6   23                                                  
CONECT    9    3   11   24                                                  
CONECT   10    5   13   25                                                  
CONECT   11    4    9   32                                                  
CONECT   12    6   13   33                                                  
CONECT   13   10   12   14                                                  
CONECT   14   13   19   26                                                  
CONECT   15   16   17   27   36                                             
CONECT   16   15   20   28   37                                             
CONECT   17   15   22   29   38                                             
CONECT   18    7   19   33                                                  
CONECT   19   14   18   34                                                  
CONECT   20   16   21   35   39                                             
CONECT   21   20   30   31                                                  
CONECT   22   17   34   35   40                                             
CONECT   23    8                                                            
CONECT   24    9                                                            
CONECT   25   10                                                            
CONECT   26   14                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   21                                                            
CONECT   31   21                                                            
CONECT   32    1   11                                                       
CONECT   33   12   18                                                       
CONECT   34   19   22                                                       
CONECT   35   20   22                                                       
CONECT   36   15                                                            
CONECT   37   16                                                            
CONECT   38   17                                                            
CONECT   39   20                                                            
CONECT   40   22                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END
Download

3D PDB for HMDB0240536 (Isorhamnetin 3-glucuronide)

COMPND    HMDB0240536
HETATM    1  C1  UNL     1       1.823  -4.753  -1.630  1.00  0.00           C  
HETATM    2  O1  UNL     1       2.221  -3.723  -1.171  1.00  0.00           O  
HETATM    3  C2  UNL     1       2.670  -2.563  -0.653  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.878  -1.414  -0.713  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.293  -0.233  -0.202  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.557   1.017  -0.150  1.00  0.00           C  
HETATM    7  O2  UNL     1       2.231   2.149   0.102  1.00  0.00           O  
HETATM    8  C6  UNL     1       1.664   3.319   0.167  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.441   4.429   0.427  1.00  0.00           C  
HETATM   10  C8  UNL     1       1.899   5.688   0.504  1.00  0.00           C  
HETATM   11  O3  UNL     1       2.715   6.803   0.773  1.00  0.00           O  
HETATM   12  C9  UNL     1       0.560   5.853   0.318  1.00  0.00           C  
HETATM   13  C10 UNL     1      -0.280   4.757   0.050  1.00  0.00           C  
HETATM   14  O4  UNL     1      -1.596   4.961  -0.126  1.00  0.00           O  
HETATM   15  C11 UNL     1       0.300   3.517  -0.016  1.00  0.00           C  
HETATM   16  C12 UNL     1      -0.430   2.389  -0.274  1.00  0.00           C  
HETATM   17  O5  UNL     1      -1.669   2.468  -0.457  1.00  0.00           O  
HETATM   18  C13 UNL     1       0.232   1.163  -0.330  1.00  0.00           C  
HETATM   19  O6  UNL     1      -0.598   0.086  -0.584  1.00  0.00           O  
HETATM   20  C14 UNL     1      -1.217  -0.707   0.431  1.00  0.00           C  
HETATM   21  O7  UNL     1      -1.325  -1.978  -0.036  1.00  0.00           O  
HETATM   22  C15 UNL     1      -2.529  -2.378  -0.530  1.00  0.00           C  
HETATM   23  C16 UNL     1      -3.023  -1.664  -1.715  1.00  0.00           C  
HETATM   24  O8  UNL     1      -4.149  -2.022  -2.181  1.00  0.00           O  
HETATM   25  O9  UNL     1      -2.359  -0.650  -2.344  1.00  0.00           O  
HETATM   26  C17 UNL     1      -3.575  -2.402   0.564  1.00  0.00           C  
HETATM   27  O10 UNL     1      -3.579  -3.675   1.125  1.00  0.00           O  
HETATM   28  C18 UNL     1      -3.241  -1.332   1.597  1.00  0.00           C  
HETATM   29  O11 UNL     1      -4.362  -0.905   2.285  1.00  0.00           O  
HETATM   30  C19 UNL     1      -2.529  -0.143   0.926  1.00  0.00           C  
HETATM   31  O12 UNL     1      -2.293   0.765   1.938  1.00  0.00           O  
HETATM   32  C20 UNL     1       3.573  -0.227   0.391  1.00  0.00           C  
HETATM   33  C21 UNL     1       4.360  -1.332   0.458  1.00  0.00           C  
HETATM   34  C22 UNL     1       3.910  -2.514  -0.067  1.00  0.00           C  
HETATM   35  O13 UNL     1       4.721  -3.656  -0.000  1.00  0.00           O  
HETATM   36  H1  UNL     1       1.959  -5.713  -0.980  1.00  0.00           H  
HETATM   37  H2  UNL     1       2.324  -5.135  -2.606  1.00  0.00           H  
HETATM   38  H3  UNL     1       0.696  -4.839  -1.899  1.00  0.00           H  
HETATM   39  H4  UNL     1       0.944  -1.480  -1.207  1.00  0.00           H  
HETATM   40  H5  UNL     1       3.506   4.269   0.573  1.00  0.00           H  
HETATM   41  H6  UNL     1       3.126   7.292   0.011  1.00  0.00           H  
HETATM   42  H7  UNL     1       0.080   6.829   0.365  1.00  0.00           H  
HETATM   43  H8  UNL     1      -2.409   4.486  -0.264  1.00  0.00           H  
HETATM   44  H9  UNL     1      -0.525  -0.603   1.315  1.00  0.00           H  
HETATM   45  H10 UNL     1      -2.387  -3.448  -0.865  1.00  0.00           H  
HETATM   46  H11 UNL     1      -2.105  -0.688  -3.321  1.00  0.00           H  
HETATM   47  H12 UNL     1      -4.551  -2.147   0.119  1.00  0.00           H  
HETATM   48  H13 UNL     1      -4.421  -4.137   0.885  1.00  0.00           H  
HETATM   49  H14 UNL     1      -2.475  -1.779   2.277  1.00  0.00           H  
HETATM   50  H15 UNL     1      -4.918  -1.698   2.492  1.00  0.00           H  
HETATM   51  H16 UNL     1      -3.168   0.299   0.174  1.00  0.00           H  
HETATM   52  H17 UNL     1      -2.885   1.555   1.877  1.00  0.00           H  
HETATM   53  H18 UNL     1       3.944   0.690   0.809  1.00  0.00           H  
HETATM   54  H19 UNL     1       5.343  -1.263   0.931  1.00  0.00           H  
HETATM   55  H20 UNL     1       5.628  -3.584   0.437  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3
CONECT    3    4    4   34
CONECT    4    5   39
CONECT    5    6   32   32
CONECT    6    7   18   18
CONECT    7    8
CONECT    8    9    9   15
CONECT    9   10   40
CONECT   10   11   12   12
CONECT   11   41
CONECT   12   13   42
CONECT   13   14   15   15
CONECT   14   43
CONECT   15   16
CONECT   16   17   17   18
CONECT   18   19
CONECT   19   20
CONECT   20   21   30   44
CONECT   21   22
CONECT   22   23   26   45
CONECT   23   24   24   25
CONECT   25   46
CONECT   26   27   28   47
CONECT   27   48
CONECT   28   29   30   49
CONECT   29   50
CONECT   30   31   51
CONECT   31   52
CONECT   32   33   53
CONECT   33   34   34   54
CONECT   34   35
CONECT   35   55
END
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SMILES for HMDB0240536 (Isorhamnetin 3-glucuronide)

[H][C@@]1(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
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INCHI for HMDB0240536 (Isorhamnetin 3-glucuronide)

InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(2S,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateHMDB
Chemical FormulaC22H20O13
Average Molecular Weight492.3864
Monoisotopic Molecular Weight492.090390726
IUPAC Name(2S,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
[H][C@@]1(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
InChI Identifier
InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1
InChI KeyVVZWHOMBDMMRSC-NTKSAMNMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glucuronides
Alternative Parents
Substituents
  • Flavonoid-3-o-glucuronide
  • Flavonoid-3-o-glycoside
  • 3p-methoxyflavonoid-skeleton
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • 1-o-glucuronide
  • O-glucuronide
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Methoxyphenol
  • Methoxybenzene
  • Anisole
  • Phenoxy compound
  • Phenol ether
  • Phenol
  • Pyranone
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Beta-hydroxy acid
  • Monosaccharide
  • Oxane
  • Pyran
  • Hydroxy acid
  • Monocyclic benzene moiety
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Polyol
  • Monocarboxylic acid or derivatives
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Carboxylic acid derivative
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Alcohol
  • Carbonyl group
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP1.4ALOGPS
logP0.32ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)2.65ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area212.67 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity113.63 m³·mol⁻¹ChemAxon
Polarizability45.45 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+194.930932474
DeepCCS[M-H]-193.07630932474
DeepCCS[M-2H]-226.32530932474
DeepCCS[M+Na]+201.23330932474
AllCCS[M+H]+207.532859911
AllCCS[M+H-H2O]+205.632859911
AllCCS[M+NH4]+209.332859911
AllCCS[M+Na]+209.932859911
AllCCS[M-H]-202.732859911
AllCCS[M+Na-2H]-203.032859911
AllCCS[M+HCOO]-203.532859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
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, 2022.4.7 minutes32390414
Predicted by Siyang on May 30, 202211.3449 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.53 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1927.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid210.4 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid79.4 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid149.6 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid77.2 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid486.5 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid602.5 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)110.1 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid759.3 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid413.9 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1847.5 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid302.0 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid336.3 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate672.1 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA155.1 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water415.0 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Isorhamnetin 3-glucuronide[H][C@@]1(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O6304.6Standard polar33892256
Isorhamnetin 3-glucuronide[H][C@@]1(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O4179.8Standard non polar33892256
Isorhamnetin 3-glucuronide[H][C@@]1(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O4465.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Isorhamnetin 3-glucuronide,1TMS,isomer #1COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4345.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TMS,isomer #2COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4325.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TMS,isomer #3COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4321.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TMS,isomer #4COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4271.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TMS,isomer #5COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4309.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TMS,isomer #6COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4294.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TMS,isomer #7COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4314.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #1COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4194.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #10COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4167.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #11COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4218.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #12COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4169.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #13COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4224.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #14COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4197.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #15COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4210.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #16COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4178.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #17COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4146.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #18COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4175.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #19COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4177.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #2COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4182.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #20COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4201.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #21COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4169.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #3COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4187.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #4COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4157.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #5COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4186.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #6COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4230.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #7COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4161.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #8COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4172.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TMS,isomer #9COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4150.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #1COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4101.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #10COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4093.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #11COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4110.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #12COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4126.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #13COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4086.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #14COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4087.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #15COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4115.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #16COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4092.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #17COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4049.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #18COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4087.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #19COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4079.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #2COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4091.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #20COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4075.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #21COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4092.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #22COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4112.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #23COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4065.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #24COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4076.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #25COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4100.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #26COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4138.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #27COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4095.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #28COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4136.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #29COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4148.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #3COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4072.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #30COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4166.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #31COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4138.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #32COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4108.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #33COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4134.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #34COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4101.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #35COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4133.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #4COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4080.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #5COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4101.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #6COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4108.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #7COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4065.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #8COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4102.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TMS,isomer #9COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4099.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #1COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4072.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #10COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4053.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #11COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4057.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #12COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4086.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #13COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4084.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #14COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4053.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #15COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4035.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #16COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4077.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #17COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4082.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #18COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4079.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #19COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4093.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #2COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4050.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #20COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4072.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #21COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4036.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #22COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4065.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #23COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4054.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #24COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4032.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #25COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4013.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #26COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4052.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #27COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4061.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #28COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4062.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #29COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4076.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #3COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4073.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #30COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4053.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #31COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4099.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #32COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4129.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #33COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4096.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #34COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4137.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #35COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4112.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #4COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4066.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #5COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4056.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #6COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4069.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #7COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4065.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #8COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4051.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,4TMS,isomer #9COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4044.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #1COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4060.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #10COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4046.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #11COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4077.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #12COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4056.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #13COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4084.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #14COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4058.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #15COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4091.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #16COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4057.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #17COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4035.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #18COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4061.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #19COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4035.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #2COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4091.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #20COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4068.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #21COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4117.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #3COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4074.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #4COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4055.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #5COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4051.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #6COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4068.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #7COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4073.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #8COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4056.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,5TMS,isomer #9COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4065.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TBDMS,isomer #1COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4565.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TBDMS,isomer #2COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4554.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TBDMS,isomer #3COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4569.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TBDMS,isomer #4COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4562.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TBDMS,isomer #5COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4534.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TBDMS,isomer #6COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4523.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,1TBDMS,isomer #7COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4543.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #1COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4677.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #10COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4611.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #11COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4640.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #12COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4650.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #13COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4637.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #14COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4611.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #15COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4638.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #16COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4645.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #17COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4608.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #18COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4642.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #19COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4594.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #2COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4665.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #20COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4617.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #21COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4601.7Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #3COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4614.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #4COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4593.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #5COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4624.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #6COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4653.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #7COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4655.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #8COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4602.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,2TBDMS,isomer #9COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4585.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #1COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4803.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #10COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4719.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #11COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4738.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #12COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4758.2Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #13COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4719.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #14COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4743.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #15COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4771.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #16COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4749.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #17COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4720.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #18COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4756.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #19COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4768.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #2COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4782.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #20COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4694.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #21COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4716.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #22COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4735.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #23COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O4690.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #24COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4723.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #25COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4745.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #26COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4770.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #27COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4733.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #28COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4775.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #29COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4732.5Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #3COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4791.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #30COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4752.9Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #31COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4731.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #32COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4718.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #33COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4749.6Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #34COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4718.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #35COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4716.3Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #4COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4796.4Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #5COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4804.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #6COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4767.0Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #7COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4743.8Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #8COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4775.1Semi standard non polar33892256
Isorhamnetin 3-glucuronide,3TBDMS,isomer #9COC1=CC(C2=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4787.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 10V, Positive-QTOFsplash10-016u-0107900000-a732d1ac0de974a50a422017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 20V, Positive-QTOFsplash10-014i-0149100000-384880601fefd9d201562017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 40V, Positive-QTOFsplash10-0uy0-2889000000-2c64dbab60166eaf0a692017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 10V, Negative-QTOFsplash10-00kf-0104900000-5a1f25a67aa31c9739d12017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 20V, Negative-QTOFsplash10-014j-2179500000-4c473fb06bffa7fe89602017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 40V, Negative-QTOFsplash10-014s-3394000000-6824da5c27878f3357bf2017-06-28Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 10V, Negative-QTOFsplash10-0006-0000900000-cd56e63b524a91bda55a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 20V, Negative-QTOFsplash10-0006-0005900000-0c9687b43b44a7f81bb42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 40V, Negative-QTOFsplash10-03di-0019100000-b8b1f019bc388c4add892021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 10V, Positive-QTOFsplash10-014i-0009200000-2b4b62892313ced150382021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 20V, Positive-QTOFsplash10-014o-0009900000-a61a1b3bac4a385c55792021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-glucuronide 40V, Positive-QTOFsplash10-014i-0009000000-235a2c69093cac80b5562021-09-23Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDC00005527
Chemspider ID4590613
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5491630
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available