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Showing metabocard for Pelargonidin 5-galactoside (HMDB0041170)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (2) Show 2 proteinsXML
enzymes (2) Show 2 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:49:44 UTC
Update Date2022-03-07 02:56:54 UTC
HMDB IDHMDB0041170
Secondary Accession Numbers
  • HMDB41170
Metabolite Identification
Common NamePelargonidin 5-galactoside
DescriptionPelargonidin 5-galactoside belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Pelargonidin 5-galactoside has been detected, but not quantified in, beverages. This could make pelargonidin 5-galactoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Pelargonidin 5-galactoside.
Structure
Data?1563863632
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0041170 (Pelargonidin 5-galactoside)


  Mrv0541 05061312262D          

 31 34  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    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
    0.7145   -0.4125    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
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    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
    2.1434   -0.4125    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
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    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    0.8250    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    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
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  3  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 14 12  2  0  0  0  0
 15  6  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 13  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29 14  1  0  0  0  0
 29 20  2  0  0  0  0
 30 15  1  0  0  0  0
 30 21  1  0  0  0  0
 31 16  1  0  0  0  0
 31 21  1  0  0  0  0
M  CHG  1  29   1
M  END
Download

3D MOL for HMDB0041170 (Pelargonidin 5-galactoside)

HMDB0041170
     RDKit          3D
Pelargonidin 5-galactoside
 52 55  0  0  0  0  0  0  0  0999 V2000
   -5.4209    1.2302    2.2230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5865   -0.0304    1.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9015   -0.0261    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5668    0.2719    0.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8760    0.5913   -0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5214    0.3742   -0.4007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4919    1.2697   -0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6072    2.6189   -0.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286    3.4283   -0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951    4.7912   -0.8422 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789    2.9318   -0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9028    1.5639   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0886    1.1004    0.0809 O   0  0  0  0  0  3  0  0  0  0  0  0
    3.3522   -0.1887    0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7325   -0.5895    0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7175    0.4205    0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0412    0.1690    0.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4784   -1.0902    0.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8093   -1.3739    1.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5488   -2.0960    1.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1896   -1.8380    0.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740   -1.0275    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4572   -2.3766    0.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9629   -0.5679    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856    0.7543   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3166   -0.2281   -1.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2268    0.5384   -2.5170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9964   -1.5089   -1.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9716   -2.3872   -0.9905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9674   -1.4072   -0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6786   -2.3030    0.7551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1754    1.7906    1.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6704   -0.2589    1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1544   -0.8364    2.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3787    0.6965   -0.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0607    1.6626   -0.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800    3.0270   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1057    5.3583   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6360    3.5817   -0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4147    1.4351    0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7651    0.9822    0.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3886   -1.6079    0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8813   -3.1027    1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5263   -2.6563    0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6640   -2.9933    0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552   -1.2653    0.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4439   -0.4253   -2.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750    0.3886   -3.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4873   -1.9377   -2.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4309   -3.1942   -0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0017   -1.6118   -0.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7922   -2.0478    1.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 14 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  3  1  0
 25  7  1  0
 25 12  1  0
 21 15  1  0
  1 32  1  0
  2 33  1  0
  2 34  1  0
  3 35  1  0
  5 36  1  0
  8 37  1  0
 10 38  1  0
 11 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 23 45  1  0
 24 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 30 51  1  0
 31 52  1  0
M  CHG  1  13   1
M  END
Download

3D SDF for HMDB0041170 (Pelargonidin 5-galactoside)


  Mrv0541 05061312262D          

 31 34  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    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
    0.7145   -0.4125    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
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    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
    2.1434   -0.4125    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
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    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    0.8250    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    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
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  3  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 14 12  2  0  0  0  0
 15  6  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 13  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29 14  1  0  0  0  0
 29 20  2  0  0  0  0
 30 15  1  0  0  0  0
 30 21  1  0  0  0  0
 31 16  1  0  0  0  0
 31 21  1  0  0  0  0
M  CHG  1  29   1
M  END
> <DATABASE_ID>
HMDB0041170

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=CC(O)=CC3=C2C=C(O)C(=[O+]3)C2=CC=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-6-11(24)5-14-12(15)7-13(25)20(29-14)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1

> <INCHI_KEY>
AFRWRFLTMADQHJ-UHFFFAOYSA-O

> <FORMULA>
C21H21O10

> <MOLECULAR_WEIGHT>
433.3854

> <EXACT_MASS>
433.113471892

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
42.53714948881857

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

> <ALOGPS_LOGP>
1.04

> <JCHEM_LOGP>
0.6713999999999993

> <ALOGPS_LOGS>
-2.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.0204525331203484

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.054723578749736

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923463387677

> <JCHEM_POLAR_SURFACE_AREA>
173.20999999999998

> <JCHEM_REFRACTIVITY>
114.2766

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.91e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0041170 (Pelargonidin 5-galactoside)

HMDB0041170
     RDKit          3D
Pelargonidin 5-galactoside
 52 55  0  0  0  0  0  0  0  0999 V2000
   -5.4209    1.2302    2.2230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5865   -0.0304    1.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9015   -0.0261    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5668    0.2719    0.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8760    0.5913   -0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5214    0.3742   -0.4007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4919    1.2697   -0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6072    2.6189   -0.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286    3.4283   -0.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951    4.7912   -0.8422 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789    2.9318   -0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9028    1.5639   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0886    1.1004    0.0809 O   0  0  0  0  0  3  0  0  0  0  0  0
    3.3522   -0.1887    0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7325   -0.5895    0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7175    0.4205    0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0412    0.1690    0.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4784   -1.0902    0.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8093   -1.3739    1.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5488   -2.0960    1.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1896   -1.8380    0.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740   -1.0275    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4572   -2.3766    0.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9629   -0.5679    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856    0.7543   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3166   -0.2281   -1.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2268    0.5384   -2.5170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9964   -1.5089   -1.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9716   -2.3872   -0.9905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9674   -1.4072   -0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6786   -2.3030    0.7551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1754    1.7906    1.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6704   -0.2589    1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1544   -0.8364    2.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3787    0.6965   -0.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0607    1.6626   -0.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800    3.0270   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1057    5.3583   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6360    3.5817   -0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4147    1.4351    0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7651    0.9822    0.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3886   -1.6079    0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8813   -3.1027    1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5263   -2.6563    0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6640   -2.9933    0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552   -1.2653    0.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4439   -0.4253   -2.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750    0.3886   -3.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4873   -1.9377   -2.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4309   -3.1942   -0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0017   -1.6118   -0.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7922   -2.0478    1.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 14 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  3  1  0
 25  7  1  0
 25 12  1  0
 21 15  1  0
  1 32  1  0
  2 33  1  0
  2 34  1  0
  3 35  1  0
  5 36  1  0
  8 37  1  0
 10 38  1  0
 11 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 23 45  1  0
 24 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 30 51  1  0
 31 52  1  0
M  CHG  1  13   1
M  END
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PDB for HMDB0041170 (Pelargonidin 5-galactoside)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   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       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.002   0.000   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      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+1
HETATM   30  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    3    9                                                       
CONECT    2    4    9                                                       
CONECT    3    1   10                                                       
CONECT    4    2   10                                                       
CONECT    5   11   14                                                       
CONECT    6   11   15                                                       
CONECT    7   12   13                                                       
CONECT    8   16   22                                                       
CONECT    9    1    2   20                                                  
CONECT   10    3    4   23                                                  
CONECT   11    5    6   24                                                  
CONECT   12    7   14   15                                                  
CONECT   13    7   20   25                                                  
CONECT   14    5   12   29                                                  
CONECT   15    6   12   30                                                  
CONECT   16    8   17   31                                                  
CONECT   17   16   18   26                                                  
CONECT   18   17   19   27                                                  
CONECT   19   18   21   28                                                  
CONECT   20    9   13   29                                                  
CONECT   21   19   30   31                                                  
CONECT   22    8                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   13                                                            
CONECT   26   17                                                            
CONECT   27   18                                                            
CONECT   28   19                                                            
CONECT   29   14   20                                                       
CONECT   30   15   21                                                       
CONECT   31   16   21                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END
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3D PDB for HMDB0041170 (Pelargonidin 5-galactoside)

COMPND    HMDB0041170
HETATM    1  O1  UNL     1      -5.421   1.230   2.223  1.00  0.00           O  
HETATM    2  C1  UNL     1      -5.586  -0.030   1.683  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.901  -0.026   0.309  1.00  0.00           C  
HETATM    4  O2  UNL     1      -3.567   0.272   0.551  1.00  0.00           O  
HETATM    5  C3  UNL     1      -2.876   0.591  -0.609  1.00  0.00           C  
HETATM    6  O3  UNL     1      -1.521   0.374  -0.401  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.492   1.270  -0.405  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.607   2.619  -0.626  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.529   3.428  -0.604  1.00  0.00           C  
HETATM   10  O4  UNL     1       0.295   4.791  -0.842  1.00  0.00           O  
HETATM   11  C7  UNL     1       1.779   2.932  -0.367  1.00  0.00           C  
HETATM   12  C8  UNL     1       1.903   1.564  -0.142  1.00  0.00           C  
HETATM   13  O5  UNL     1       3.089   1.100   0.081  1.00  0.00           O1+
HETATM   14  C9  UNL     1       3.352  -0.189   0.312  1.00  0.00           C  
HETATM   15  C10 UNL     1       4.733  -0.589   0.550  1.00  0.00           C  
HETATM   16  C11 UNL     1       5.717   0.421   0.520  1.00  0.00           C  
HETATM   17  C12 UNL     1       7.041   0.169   0.729  1.00  0.00           C  
HETATM   18  C13 UNL     1       7.478  -1.090   0.980  1.00  0.00           C  
HETATM   19  O6  UNL     1       8.809  -1.374   1.195  1.00  0.00           O  
HETATM   20  C14 UNL     1       6.549  -2.096   1.017  1.00  0.00           C  
HETATM   21  C15 UNL     1       5.190  -1.838   0.802  1.00  0.00           C  
HETATM   22  C16 UNL     1       2.274  -1.027   0.301  1.00  0.00           C  
HETATM   23  O7  UNL     1       2.457  -2.377   0.531  1.00  0.00           O  
HETATM   24  C17 UNL     1       0.963  -0.568   0.063  1.00  0.00           C  
HETATM   25  C18 UNL     1       0.786   0.754  -0.162  1.00  0.00           C  
HETATM   26  C19 UNL     1      -3.317  -0.228  -1.792  1.00  0.00           C  
HETATM   27  O8  UNL     1      -4.227   0.538  -2.517  1.00  0.00           O  
HETATM   28  C20 UNL     1      -3.996  -1.509  -1.406  1.00  0.00           C  
HETATM   29  O9  UNL     1      -2.972  -2.387  -0.990  1.00  0.00           O  
HETATM   30  C21 UNL     1      -4.967  -1.407  -0.288  1.00  0.00           C  
HETATM   31  O10 UNL     1      -4.679  -2.303   0.755  1.00  0.00           O  
HETATM   32  H1  UNL     1      -6.175   1.791   1.890  1.00  0.00           H  
HETATM   33  H2  UNL     1      -6.670  -0.259   1.577  1.00  0.00           H  
HETATM   34  H3  UNL     1      -5.154  -0.836   2.296  1.00  0.00           H  
HETATM   35  H4  UNL     1      -5.379   0.697  -0.349  1.00  0.00           H  
HETATM   36  H5  UNL     1      -3.061   1.663  -0.800  1.00  0.00           H  
HETATM   37  H6  UNL     1      -1.580   3.027  -0.813  1.00  0.00           H  
HETATM   38  H7  UNL     1       0.106   5.358  -0.016  1.00  0.00           H  
HETATM   39  H8  UNL     1       2.636   3.582  -0.356  1.00  0.00           H  
HETATM   40  H9  UNL     1       5.415   1.435   0.324  1.00  0.00           H  
HETATM   41  H10 UNL     1       7.765   0.982   0.696  1.00  0.00           H  
HETATM   42  H11 UNL     1       9.389  -1.608   0.408  1.00  0.00           H  
HETATM   43  H12 UNL     1       6.881  -3.103   1.215  1.00  0.00           H  
HETATM   44  H13 UNL     1       4.526  -2.656   0.844  1.00  0.00           H  
HETATM   45  H14 UNL     1       1.664  -2.993   0.522  1.00  0.00           H  
HETATM   46  H15 UNL     1       0.155  -1.265   0.065  1.00  0.00           H  
HETATM   47  H16 UNL     1      -2.444  -0.425  -2.447  1.00  0.00           H  
HETATM   48  H17 UNL     1      -4.175   0.389  -3.485  1.00  0.00           H  
HETATM   49  H18 UNL     1      -4.487  -1.938  -2.295  1.00  0.00           H  
HETATM   50  H19 UNL     1      -3.431  -3.194  -0.639  1.00  0.00           H  
HETATM   51  H20 UNL     1      -6.002  -1.612  -0.677  1.00  0.00           H  
HETATM   52  H21 UNL     1      -3.792  -2.048   1.095  1.00  0.00           H  
CONECT    1    2   32
CONECT    2    3   33   34
CONECT    3    4   30   35
CONECT    4    5
CONECT    5    6   26   36
CONECT    6    7
CONECT    7    8    8   25
CONECT    8    9   37
CONECT    9   10   11   11
CONECT   10   38
CONECT   11   12   39
CONECT   12   13   13   25
CONECT   13   14
CONECT   14   15   22   22
CONECT   15   16   16   21
CONECT   16   17   40
CONECT   17   18   18   41
CONECT   18   19   20
CONECT   19   42
CONECT   20   21   21   43
CONECT   21   44
CONECT   22   23   24
CONECT   23   45
CONECT   24   25   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
END
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SMILES for HMDB0041170 (Pelargonidin 5-galactoside)

OCC1OC(OC2=CC(O)=CC3=C2C=C(O)C(=[O+]3)C2=CC=C(O)C=C2)C(O)C(O)C1O
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INCHI for HMDB0041170 (Pelargonidin 5-galactoside)

InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-6-11(24)5-14-12(15)7-13(25)20(29-14)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC21H21O10
Average Molecular Weight433.3854
Monoisotopic Molecular Weight433.113471892
IUPAC Name3,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
Traditional Name3,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
CAS Registry Number157526-28-8
SMILES
OCC1OC(OC2=CC(O)=CC3=C2C=C(O)C(=[O+]3)C2=CC=C(O)C=C2)C(O)C(O)C1O
InChI Identifier
InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-6-11(24)5-14-12(15)7-13(25)20(29-14)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1
InChI KeyAFRWRFLTMADQHJ-UHFFFAOYSA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentAnthocyanidin-5-O-glycosides
Alternative Parents
Substituents
  • Anthocyanidin-5-o-glycoside
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • Hydroxyflavonoid
  • Anthocyanidin
  • Phenolic glycoside
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Monosaccharide
  • Oxane
  • Heteroaromatic compound
  • Secondary alcohol
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Primary alcohol
  • Organic oxygen compound
  • Alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
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
Water Solubility0.49 g/LALOGPS
logP1.04ALOGPS
logP0.67ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)6.05ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area173.21 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity114.28 m³·mol⁻¹ChemAxon
Polarizability42.54 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+195.31530932474
DeepCCS[M-H]-192.9230932474
DeepCCS[M-2H]-225.96430932474
DeepCCS[M+Na]+201.22830932474
AllCCS[M+H]+201.032859911
AllCCS[M+H-H2O]+198.532859911
AllCCS[M+NH4]+203.332859911
AllCCS[M+Na]+203.932859911
AllCCS[M-H]-198.132859911
AllCCS[M+Na-2H]-198.532859911
AllCCS[M+HCOO]-199.032859911

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, 2022.3.28 minutes32390414
Predicted by Siyang on May 30, 202210.9064 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.1 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid127.4 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1608.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid203.3 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid127.8 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid173.1 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid99.2 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid382.6 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 Acid354.7 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)390.5 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid680.3 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid381.8 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1185.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid252.0 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid265.0 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate405.7 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA327.3 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water188.7 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Pelargonidin 5-galactosideOCC1OC(OC2=CC(O)=CC3=C2C=C(O)C(=[O+]3)C2=CC=C(O)C=C2)C(O)C(O)C1O6021.5Standard polar33892256
Pelargonidin 5-galactosideOCC1OC(OC2=CC(O)=CC3=C2C=C(O)C(=[O+]3)C2=CC=C(O)C=C2)C(O)C(O)C1O4401.2Standard non polar33892256
Pelargonidin 5-galactosideOCC1OC(OC2=CC(O)=CC3=C2C=C(O)C(=[O+]3)C2=CC=C(O)C=C2)C(O)C(O)C1O4398.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Pelargonidin 5-galactoside,1TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O)C1O4208.8Semi standard non polar33892256
Pelargonidin 5-galactoside,1TMS,isomer #2C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14308.0Semi standard non polar33892256
Pelargonidin 5-galactoside,1TMS,isomer #3C[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O)C(O)C3O)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14260.9Semi standard non polar33892256
Pelargonidin 5-galactoside,1TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2O)C=C14274.4Semi standard non polar33892256
Pelargonidin 5-galactoside,1TMS,isomer #5C[Si](C)(C)OC1C(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)OC(CO)C(O)C1O4227.7Semi standard non polar33892256
Pelargonidin 5-galactoside,1TMS,isomer #6C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C1O4233.1Semi standard non polar33892256
Pelargonidin 5-galactoside,1TMS,isomer #7C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C1O4230.6Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O)C1O4159.6Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #10C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C=C(O[Si](C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C14207.2Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2O)C=C14145.6Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #12C[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14179.9Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #13C[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14176.1Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #14C[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14187.8Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2O[Si](C)(C)C)C=C14227.3Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #16C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2O)C=C14128.2Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2O)C=C14109.9Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #18C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2O)C=C14136.2Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #19C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C1O4135.8Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O)C(O)C1O4157.0Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #20C[Si](C)(C)OC1C(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)OC(CO)C(O)C1O[Si](C)(C)C4146.7Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #21C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C1O[Si](C)(C)C4128.6Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O)C1O4187.5Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O)C1O4151.4Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C)C1O4143.3Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O)C1O[Si](C)(C)C4139.4Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #7C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14139.7Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #8C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14122.3Semi standard non polar33892256
Pelargonidin 5-galactoside,2TMS,isomer #9C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14141.4Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O)C(O)C1O3993.0Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O)C1O4064.4Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O[Si](C)(C)C)C1O4035.2Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O)C1O[Si](C)(C)C4050.1Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4033.2Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4072.9Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4022.2Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #16C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C13973.1Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #17C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C13999.7Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #18C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C=C(O[Si](C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C14034.2Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2O)C=C13972.8Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O)C1O4040.4Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #20C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C13984.9Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #21C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C=C(O[Si](C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C13989.8Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #22C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2O)C=C13949.6Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #23C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C=C(O[Si](C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C14045.5Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #24C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2O)C=C13969.8Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #25C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2O[Si](C)(C)C)C=C14034.0Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #26C[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14048.4Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #27C[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14063.7Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #28C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2O[Si](C)(C)C)C=C14022.9Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #29C[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14057.9Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O)C1O4010.6Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #30C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2O[Si](C)(C)C)C=C13984.1Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #31C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)C=C14032.2Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #32C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2O)C=C13964.3Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #33C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2O)C=C13988.5Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #34C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2O)C=C13981.5Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #35C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C1O[Si](C)(C)C4032.7Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C)C1O3982.1Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O)C1O[Si](C)(C)C4000.2Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O)C1O4039.8Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O)C1O3998.6Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C)C1O3965.0Semi standard non polar33892256
Pelargonidin 5-galactoside,3TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O)C(O)C1O[Si](C)(C)C3986.8Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O)C1O3923.0Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3905.8Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O)C1O3942.1Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O[Si](C)(C)C)C1O3889.4Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O)C1O[Si](C)(C)C3930.8Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3923.5Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3947.8Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3911.6Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3971.7Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3999.8Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3958.7Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O)C1O3907.7Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4009.3Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #21C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C13924.8Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #22C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C=C(O[Si](C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C13901.9Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #23C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2O)C=C13880.2Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #24C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C=C(O[Si](C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C13925.6Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #25C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2O)C=C13902.5Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #26C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2O[Si](C)(C)C)C=C13920.1Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #27C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C=C(O[Si](C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C13914.3Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #28C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2O)C=C13885.5Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #29C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2O[Si](C)(C)C)C=C13889.4Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C)C1O3894.6Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #30C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)C=C13913.5Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #31C[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C13983.2Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #32C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2O[Si](C)(C)C)C=C13904.8Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #33C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)C=C13927.0Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #34C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)C=C13918.0Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #35C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2O)C=C13921.4Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O)C(O)C1O[Si](C)(C)C3904.1Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O)C1O3934.7Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O[Si](C)(C)C)C1O3889.8Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O)C1O[Si](C)(C)C3925.4Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3925.0Semi standard non polar33892256
Pelargonidin 5-galactoside,4TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3957.4Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O)C1O3869.6Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3893.5Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3874.7Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3894.4Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3864.7Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3906.9Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3955.3Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #16C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C=C(O[Si](C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C13870.5Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2O)C=C13853.4Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #18C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2O[Si](C)(C)C)C=C13846.4Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)C=C13869.5Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O[Si](C)(C)C)C1O3855.4Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)C=C13850.7Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #21C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)C=C13879.5Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O)C1O[Si](C)(C)C3869.3Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3857.9Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3884.0Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3847.6Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3863.3Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3882.4Semi standard non polar33892256
Pelargonidin 5-galactoside,5TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3851.1Semi standard non polar33892256
Pelargonidin 5-galactoside,6TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3833.7Semi standard non polar33892256
Pelargonidin 5-galactoside,6TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3849.9Semi standard non polar33892256
Pelargonidin 5-galactoside,6TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3828.8Semi standard non polar33892256
Pelargonidin 5-galactoside,6TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3841.6Semi standard non polar33892256
Pelargonidin 5-galactoside,6TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3851.0Semi standard non polar33892256
Pelargonidin 5-galactoside,6TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C)C=C4)=C(O[Si](C)(C)C)C=C23)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3873.6Semi standard non polar33892256
Pelargonidin 5-galactoside,6TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)C=C13826.5Semi standard non polar33892256
Pelargonidin 5-galactoside,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O)C1O4488.4Semi standard non polar33892256
Pelargonidin 5-galactoside,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14550.6Semi standard non polar33892256
Pelargonidin 5-galactoside,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O)C(O)C3O)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14516.0Semi standard non polar33892256
Pelargonidin 5-galactoside,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2O)C=C14511.6Semi standard non polar33892256
Pelargonidin 5-galactoside,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)OC(CO)C(O)C1O4509.2Semi standard non polar33892256
Pelargonidin 5-galactoside,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C1O4514.1Semi standard non polar33892256
Pelargonidin 5-galactoside,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C1O4512.6Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O)C1O4676.8Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C=C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C14722.3Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2O)C=C14687.9Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14688.2Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14685.2Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14698.1Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2O[Si](C)(C)C(C)(C)C)C=C14704.2Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2O)C=C14641.8Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2O)C=C14640.7Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2O)C=C14648.3Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C1O4681.4Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O)C=C23)C(O)C(O)C1O4654.2Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4677.0Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C1O[Si](C)(C)C(C)(C)C4648.5Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O)C(O)C1O4689.9Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4659.0Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4661.3Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4652.0Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14676.7Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14674.2Semi standard non polar33892256
Pelargonidin 5-galactoside,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14676.7Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O)C=C23)C(O)C(O)C1O4781.1Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4749.0Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4733.6Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4737.0Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4735.7Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4770.1Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4731.1Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14716.8Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14740.9Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C=C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C14765.0Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2O)C=C14787.8Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O)C(O)C1O4773.0Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14745.2Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C=C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C14741.1Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2O)C=C14795.5Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C=C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C14765.5Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2O)C=C14771.6Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2O[Si](C)(C)C(C)(C)C)C=C14823.4Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14714.5Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14748.4Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2O[Si](C)(C)C(C)(C)C)C=C14742.6Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14748.6Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4733.7Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2O[Si](C)(C)C(C)(C)C)C=C14723.4Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2O[Si](C)(C)C(C)(C)C)C=C14748.5Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2O)C=C14703.8Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2O)C=C14725.9Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3C=C2O)C=C14729.6Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4727.0Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4734.8Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4734.5Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O)C(O)C1O4761.4Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4726.6Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4732.5Semi standard non polar33892256
Pelargonidin 5-galactoside,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O)C=C23)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4720.5Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O)C(O)C1O4874.6Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4817.5Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4815.4Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4820.4Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4809.9Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4847.0Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4869.4Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4833.5Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4804.4Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4833.1Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4787.8Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4869.4Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4840.7Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C2C=C(O)C(C3=CC=C(O)C=C3)=[O+]C2=C14822.8Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C=C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C14793.1Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2O)C=C14889.1Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C=C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C14814.1Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2O)C=C14891.7Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2O[Si](C)(C)C(C)(C)C)C=C14887.6Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C2C=C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C=C3)=[O+]C2=C14827.0Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3C=C2O)C=C14910.8Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2O[Si](C)(C)C(C)(C)C)C=C14891.6Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O)C=C23)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4909.9Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2O[Si](C)(C)C(C)(C)C)C=C14873.9Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C14791.7Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2O[Si](C)(C)C(C)(C)C)C=C14805.3Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2O[Si](C)(C)C(C)(C)C)C=C14815.3Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3C=C2O[Si](C)(C)C(C)(C)C)C=C14832.5Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3C=C2O)C=C14829.9Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=C(O)C=C23)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4877.2Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4815.7Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4811.4Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[Si](C)(C)C(C)(C)C)C=C23)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4812.0Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4831.7Semi standard non polar33892256
Pelargonidin 5-galactoside,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O)C=C23)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4860.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Pelargonidin 5-galactoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0fk9-9623600000-3cc35ffacc82cd6e46a92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pelargonidin 5-galactoside GC-MS (3 TMS) - 70eV, Positivesplash10-001i-6610019000-057437fafd1be0b575fa2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pelargonidin 5-galactoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pelargonidin 5-galactoside 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 - Pelargonidin 5-galactoside 10V, Positive-QTOFsplash10-00xr-0090200000-e53e535df96663df82752017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pelargonidin 5-galactoside 20V, Positive-QTOFsplash10-00di-0090000000-3516c3453629d65b780d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pelargonidin 5-galactoside 40V, Positive-QTOFsplash10-00di-2890000000-0fae625cedb27d2e06042017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pelargonidin 5-galactoside 10V, Positive-QTOFsplash10-00yj-0371900000-bd7745253adb69bc90f72021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pelargonidin 5-galactoside 20V, Positive-QTOFsplash10-00di-0090100000-ac8df0326e4521e35cf22021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pelargonidin 5-galactoside 40V, Positive-QTOFsplash10-05fs-9480000000-bac0b8c5165d77f928b12021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB021061
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound74976918
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 References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

Enzyme Details
1. UDP-glucuronosyltransferase 1-1
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
Pelargonidin 5-galactoside → (6-carboxy-3,4,5-trihydroxyoxan-2-yl)[4-(3,7-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-ylidene)cyclohexa-2,5-dien-1-ylidene]oxidaniumdetails
Pelargonidin 5-galactoside → 3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-yliumdetails
Pelargonidin 5-galactoside → 7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-yliumdetails
Enzyme Details
2. Sulfotransferase 1A3
General function:
sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of phenolic monoamines (neurotransmitters such as dopamine, norepinephrine and serotonin) and phenolic and catechol drugs.
Gene Name:
SULT1A3
Uniprot ID:
P0DMM9
Molecular weight:
34195.96
Reactions
Pelargonidin 5-galactoside → [dihydroxy(oxo)-λ⁶-sulfanylidene][4-(3-hydroxy-7-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7H-chromen-2-yl)phenyl]oxidaniumdetails