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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:14:53 UTC

Update Date

2022-03-07 02:55:35 UTC

HMDB ID

HMDB0037977

Secondary Accession Numbers

HMDB37977

Metabolite Identification

Common Name

Cyanidin 3-galactoside

Description

Cyanidin 3-galactoside, also known as ideain or cy3-gal, belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Thus, cyanidin 3-galactoside is considered to be a flavonoid. Cyanidin 3-galactoside is found, on average, in the highest concentration within a few different foods, such as black chokeberries (Photinia melanocarpa), lingonberries (Vaccinium vitis-idaea), and bilberries (Vaccinium myrtillus) and in a lower concentration in lowbush blueberries (Vaccinium angustifolium), apples (Malus pumila), and highbush blueberries (Vaccinium corymbosum). Cyanidin 3-galactoside has also been detected, but not quantified in, several different foods, such as strawberries (Fragaria X ananassa), amaranths (Amaranthus), annual wild rice (Zizania aquatica), sparkleberries (Vaccinium arboreum), and wheats (Triticum). This could make cyanidin 3-galactoside a potential biomarker for the consumption of these foods. Cyanidin 3-galactoside is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Cyanidin 3-galactoside.

Structure

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

  Mrv0541 02241221522D          

 32 35  0  0  0  0            999 V2000
   -5.5693    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2837   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2837   -1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5693   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8548   -1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8548   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1403    0.2225    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -4.1403   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7114    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969    1.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7114    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5693   -2.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5680    1.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9981    0.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969    2.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -2.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -3.4900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7114   -3.9025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9970   -3.4900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9970   -2.6650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7114   -2.2525    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7114   -1.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825   -2.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825   -3.9025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7114   -4.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1404   -3.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1404   -4.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  2  0  0  0  0
  5  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 13 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  4 17  1  0  0  0  0
 16 18  1  0  0  0  0
  2 19  1  0  0  0  0
  9 27  1  0  0  0  0
 12 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  6  0  0  0
 24 29  1  1  0  0  0
 23 30  1  1  0  0  0
 22 31  1  1  0  0  0
 31 32  1  0  0  0  0
M  CHG  1   7   1
M  END

HMDB0037977
     RDKit          3D
Cyanidin 3-galactoside
 53 56  0  0  0  0  0  0  0  0999 V2000
    4.9037    3.3520    0.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5136    3.2890    0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0171    2.0805   -0.0964 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6587    1.8836    0.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767    0.5873   -0.4510 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0750    0.2299   -0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4980   -0.7583    0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660   -1.6789    1.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221   -2.6962    1.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885   -3.6043    2.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422   -3.5051    2.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0256   -4.6316    3.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920   -4.7429    3.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906   -5.7722    4.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001   -3.8281    2.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -2.7927    1.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3539   -1.9163    1.3464 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8456   -0.8952    0.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772    0.0086    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1538   -0.2123    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1080    0.6127   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7351    1.6936   -1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7094    2.5051   -1.6961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3970    1.9341   -1.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367    3.0281   -2.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4564    1.0838   -0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    0.6307   -1.9835 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4521   -0.7182   -2.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7915    1.2228   -2.4366 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6001    1.7407   -3.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2778    2.3537   -1.5640 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7055    3.5672   -1.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3773    2.7032    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0993    4.2226    0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3961    3.1916    1.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5674    1.1656    0.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699   -0.0479   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4127   -1.5601    1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -2.8826    1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160   -5.3482    3.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2427   -6.6613    3.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2999   -3.8703    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4416   -1.0665    0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1659    0.4112   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4779    3.3088   -2.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739    3.2710   -2.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4346    1.3474   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6019    1.1630   -2.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -1.0246   -2.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5631    0.4238   -2.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763    1.0299   -4.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3758    2.4329   -1.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    3.7396   -2.8603 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  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
  5 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  3  1  0
 18  7  1  0
 26 19  1  0
 16  9  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  1
  5 37  1  1
  8 38  1  0
 11 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 20 43  1  0
 21 44  1  0
 23 45  1  0
 25 46  1  0
 26 47  1  0
 27 48  1  6
 28 49  1  0
 29 50  1  6
 30 51  1  0
 31 52  1  1
 32 53  1  0
M  CHG  1  17   1
M  END

  Mrv0541 02241221522D          

 32 35  0  0  0  0            999 V2000
   -5.5693    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2837   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2837   -1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5693   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8548   -1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8548   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1403    0.2225    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -4.1403   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7114    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969    1.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7114    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5693   -2.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5680    1.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9981    0.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969    2.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -2.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -3.4900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7114   -3.9025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9970   -3.4900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9970   -2.6650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7114   -2.2525    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7114   -1.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825   -2.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825   -3.9025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7114   -4.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1404   -3.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1404   -4.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  2  0  0  0  0
  5  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 13 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  4 17  1  0  0  0  0
 16 18  1  0  0  0  0
  2 19  1  0  0  0  0
  9 27  1  0  0  0  0
 12 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  6  0  0  0
 24 29  1  1  0  0  0
 23 30  1  1  0  0  0
 22 31  1  1  0  0  0
 31 32  1  0  0  0  0
M  CHG  1   7   1
M  END
> <DATABASE_ID>
HMDB0037977

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1

> <INCHI_KEY>
RKWHWFONKJEUEF-WVXKDWSHSA-O

> <FORMULA>
C21H21O11

> <MOLECULAR_WEIGHT>
449.3848

> <EXACT_MASS>
449.108386514

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
43.04246655712965

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.98

> <JCHEM_LOGP>
0.38699999999999934

> <ALOGPS_LOGS>
-2.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.457961070975373

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.388329617449456

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923799280262

> <JCHEM_POLAR_SURFACE_AREA>
193.44

> <JCHEM_REFRACTIVITY>
116.25749999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.04e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyanidin 3-O-β-D-galactoside

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037977
     RDKit          3D
Cyanidin 3-galactoside
 53 56  0  0  0  0  0  0  0  0999 V2000
    4.9037    3.3520    0.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5136    3.2890    0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0171    2.0805   -0.0964 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6587    1.8836    0.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767    0.5873   -0.4510 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0750    0.2299   -0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4980   -0.7583    0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660   -1.6789    1.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221   -2.6962    1.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885   -3.6043    2.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422   -3.5051    2.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0256   -4.6316    3.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920   -4.7429    3.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906   -5.7722    4.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001   -3.8281    2.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -2.7927    1.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3539   -1.9163    1.3464 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8456   -0.8952    0.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772    0.0086    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1538   -0.2123    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1080    0.6127   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7351    1.6936   -1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7094    2.5051   -1.6961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3970    1.9341   -1.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367    3.0281   -2.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4564    1.0838   -0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    0.6307   -1.9835 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4521   -0.7182   -2.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7915    1.2228   -2.4366 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6001    1.7407   -3.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2778    2.3537   -1.5640 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7055    3.5672   -1.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3773    2.7032    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0993    4.2226    0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3961    3.1916    1.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5674    1.1656    0.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699   -0.0479   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4127   -1.5601    1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -2.8826    1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160   -5.3482    3.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2427   -6.6613    3.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2999   -3.8703    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4416   -1.0665    0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1659    0.4112   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4779    3.3088   -2.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739    3.2710   -2.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4346    1.3474   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6019    1.1630   -2.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -1.0246   -2.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5631    0.4238   -2.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763    1.0299   -4.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3758    2.4329   -1.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    3.7396   -2.8603 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  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
  5 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  3  1  0
 18  7  1  0
 26 19  1  0
 16  9  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  1
  5 37  1  1
  8 38  1  0
 11 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 20 43  1  0
 21 44  1  0
 23 45  1  0
 25 46  1  0
 26 47  1  0
 27 48  1  6
 28 49  1  0
 29 50  1  6
 30 51  1  0
 31 52  1  1
 32 53  1  0
M  CHG  1  17   1
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0     -10.396   0.415   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -11.730  -0.355   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -11.730  -1.895   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.396  -2.665   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.062  -1.895   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.062  -0.355   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -7.729   0.415   0.000  0.00  0.00           O+1
HETATM    8  C   UNK     0      -7.729  -2.665   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.395  -1.895   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.395  -0.355   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.061   0.415   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.728   2.725   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.061   1.955   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.728  -0.355   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.394   0.415   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.394   1.955   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -10.396  -4.205   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -1.060   2.725   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0     -13.063   0.415   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -3.728   4.265   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -6.395  -4.975   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -6.395  -6.515   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.061  -7.285   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.728  -6.515   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -3.728  -4.975   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.061  -4.205   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -5.061  -2.665   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -2.394  -4.205   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -2.394  -7.285   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -5.061  -8.825   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -7.729  -7.285   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -7.729  -8.825   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   17                                                  
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5                                                  
CONECT    7    6   10                                                       
CONECT    8    5    9                                                       
CONECT    9    8   10   27                                                  
CONECT   10    7    9   11                                                  
CONECT   11   10   13   14                                                  
CONECT   12   13   16   20                                                  
CONECT   13   11   12                                                       
CONECT   14   11   15                                                       
CONECT   15   14   16                                                       
CONECT   16   12   15   18                                                  
CONECT   17    4                                                            
CONECT   18   16                                                            
CONECT   19    2                                                            
CONECT   20   12                                                            
CONECT   21   22   26                                                       
CONECT   22   21   23   31                                                  
CONECT   23   22   24   30                                                  
CONECT   24   23   25   29                                                  
CONECT   25   24   26   28                                                  
CONECT   26   21   25   27                                                  
CONECT   27    9   26                                                       
CONECT   28   25                                                            
CONECT   29   24                                                            
CONECT   30   23                                                            
CONECT   31   22   32                                                       
CONECT   32   31                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

COMPND    HMDB0037977
HETATM    1  O1  UNL     1       4.904   3.352   0.421  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.514   3.289   0.671  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.017   2.081  -0.096  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.659   1.884   0.050  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.377   0.587  -0.451  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.075   0.230  -0.187  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.498  -0.758   0.511  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.366  -1.679   1.142  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.222  -2.696   1.862  1.00  0.00           C  
HETATM   10  C7  UNL     1       0.589  -3.604   2.485  1.00  0.00           C  
HETATM   11  O4  UNL     1       1.942  -3.505   2.397  1.00  0.00           O  
HETATM   12  C8  UNL     1      -0.026  -4.632   3.211  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.392  -4.743   3.308  1.00  0.00           C  
HETATM   14  O5  UNL     1      -1.991  -5.772   4.036  1.00  0.00           O  
HETATM   15  C10 UNL     1      -2.200  -3.828   2.680  1.00  0.00           C  
HETATM   16  C11 UNL     1      -1.602  -2.793   1.948  1.00  0.00           C  
HETATM   17  O6  UNL     1      -2.354  -1.916   1.346  1.00  0.00           O1+
HETATM   18  C12 UNL     1      -1.846  -0.895   0.626  1.00  0.00           C  
HETATM   19  C13 UNL     1      -2.777   0.009   0.007  1.00  0.00           C  
HETATM   20  C14 UNL     1      -4.154  -0.212   0.185  1.00  0.00           C  
HETATM   21  C15 UNL     1      -5.108   0.613  -0.378  1.00  0.00           C  
HETATM   22  C16 UNL     1      -4.735   1.694  -1.143  1.00  0.00           C  
HETATM   23  O7  UNL     1      -5.709   2.505  -1.696  1.00  0.00           O  
HETATM   24  C17 UNL     1      -3.397   1.934  -1.334  1.00  0.00           C  
HETATM   25  O8  UNL     1      -3.037   3.028  -2.108  1.00  0.00           O  
HETATM   26  C18 UNL     1      -2.456   1.084  -0.753  1.00  0.00           C  
HETATM   27  C19 UNL     1       1.507   0.631  -1.983  1.00  0.00           C  
HETATM   28  O9  UNL     1       1.452  -0.718  -2.392  1.00  0.00           O  
HETATM   29  C20 UNL     1       2.792   1.223  -2.437  1.00  0.00           C  
HETATM   30  O10 UNL     1       2.600   1.741  -3.728  1.00  0.00           O  
HETATM   31  C21 UNL     1       3.278   2.354  -1.564  1.00  0.00           C  
HETATM   32  O11 UNL     1       2.706   3.567  -1.907  1.00  0.00           O  
HETATM   33  H1  UNL     1       5.377   2.703   1.027  1.00  0.00           H  
HETATM   34  H2  UNL     1       3.099   4.223   0.256  1.00  0.00           H  
HETATM   35  H3  UNL     1       3.396   3.192   1.759  1.00  0.00           H  
HETATM   36  H4  UNL     1       3.567   1.166   0.181  1.00  0.00           H  
HETATM   37  H5  UNL     1       2.170  -0.048  -0.018  1.00  0.00           H  
HETATM   38  H6  UNL     1       1.413  -1.560   1.045  1.00  0.00           H  
HETATM   39  H7  UNL     1       2.541  -2.883   1.953  1.00  0.00           H  
HETATM   40  H8  UNL     1       0.616  -5.348   3.703  1.00  0.00           H  
HETATM   41  H9  UNL     1      -2.243  -6.661   3.655  1.00  0.00           H  
HETATM   42  H10 UNL     1      -3.300  -3.870   2.725  1.00  0.00           H  
HETATM   43  H11 UNL     1      -4.442  -1.067   0.790  1.00  0.00           H  
HETATM   44  H12 UNL     1      -6.166   0.411  -0.218  1.00  0.00           H  
HETATM   45  H13 UNL     1      -5.478   3.309  -2.264  1.00  0.00           H  
HETATM   46  H14 UNL     1      -2.074   3.271  -2.295  1.00  0.00           H  
HETATM   47  H15 UNL     1      -1.435   1.347  -0.956  1.00  0.00           H  
HETATM   48  H16 UNL     1       0.602   1.163  -2.337  1.00  0.00           H  
HETATM   49  H17 UNL     1       0.531  -1.025  -2.208  1.00  0.00           H  
HETATM   50  H18 UNL     1       3.563   0.424  -2.542  1.00  0.00           H  
HETATM   51  H19 UNL     1       2.676   1.030  -4.424  1.00  0.00           H  
HETATM   52  H20 UNL     1       4.376   2.433  -1.700  1.00  0.00           H  
HETATM   53  H21 UNL     1       2.936   3.740  -2.860  1.00  0.00           H  
CONECT    1    2   33
CONECT    2    3   34   35
CONECT    3    4   31   36
CONECT    4    5
CONECT    5    6   27   37
CONECT    6    7
CONECT    7    8    8   18
CONECT    8    9   38
CONECT    9   10   10   16
CONECT   10   11   12
CONECT   11   39
CONECT   12   13   13   40
CONECT   13   14   15
CONECT   14   41
CONECT   15   16   16   42
CONECT   16   17
CONECT   17   18   18
CONECT   18   19
CONECT   19   20   20   26
CONECT   20   21   43
CONECT   21   22   22   44
CONECT   22   23   24
CONECT   23   45
CONECT   24   25   26   26
CONECT   25   46
CONECT   26   47
CONECT   27   28   29   48
CONECT   28   49
CONECT   29   30   31   50
CONECT   30   51
CONECT   31   32   52
CONECT   32   53
END

HMDB0037977
     RDKit          3D
Cyanidin 3-galactoside
 53 56  0  0  0  0  0  0  0  0999 V2000
    4.9037    3.3520    0.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5136    3.2890    0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0171    2.0805   -0.0964 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6587    1.8836    0.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767    0.5873   -0.4510 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0750    0.2299   -0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4980   -0.7583    0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660   -1.6789    1.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221   -2.6962    1.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885   -3.6043    2.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422   -3.5051    2.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0256   -4.6316    3.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920   -4.7429    3.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906   -5.7722    4.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001   -3.8281    2.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -2.7927    1.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3539   -1.9163    1.3464 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8456   -0.8952    0.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772    0.0086    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1538   -0.2123    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1080    0.6127   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7351    1.6936   -1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7094    2.5051   -1.6961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3970    1.9341   -1.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367    3.0281   -2.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4564    1.0838   -0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    0.6307   -1.9835 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4521   -0.7182   -2.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7915    1.2228   -2.4366 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6001    1.7407   -3.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2778    2.3537   -1.5640 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7055    3.5672   -1.9073 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3773    2.7032    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0993    4.2226    0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3961    3.1916    1.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5674    1.1656    0.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699   -0.0479   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4127   -1.5601    1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -2.8826    1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160   -5.3482    3.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2427   -6.6613    3.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2999   -3.8703    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4416   -1.0665    0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1659    0.4112   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4779    3.3088   -2.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739    3.2710   -2.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4346    1.3474   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6019    1.1630   -2.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -1.0246   -2.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5631    0.4238   -2.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763    1.0299   -4.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3758    2.4329   -1.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    3.7396   -2.8603 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  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
  5 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  3  1  0
 18  7  1  0
 26 19  1  0
 16  9  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  3 36  1  1
  5 37  1  1
  8 38  1  0
 11 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 20 43  1  0
 21 44  1  0
 23 45  1  0
 25 46  1  0
 26 47  1  0
 27 48  1  6
 28 49  1  0
 29 50  1  6
 30 51  1  0
 31 52  1  1
 32 53  1  0
M  CHG  1  17   1
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Cyanidin 3-O-galactoside	ChEBI
Cyanidin 3-O-beta-D-galactoside	Kegg
Ideain	Kegg
Cyanidin 3-O-b-D-galactoside	Generator
Cyanidin 3-O-β-D-galactoside	Generator
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl beta-D-galactopyranoside chloride	MeSH
Cy3-gal	MeSH
Cyanidin 3-O-beta-D-galactopyranoside	HMDB
Idaein	HMDB
Idein	HMDB
Cyanidin 3-galactoside	MeSH

Chemical Formula

C₂₁H₂₁O₁₁

Average Molecular Weight

449.3848

Monoisotopic Molecular Weight

449.108386514

IUPAC Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

Traditional Name

cyanidin 3-O-β-D-galactoside

CAS Registry Number

27661-36-5

SMILES

OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1

InChI Key

RKWHWFONKJEUEF-WVXKDWSHSA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Anthocyanidin-3-O-glycosides

Alternative Parents

Substituents

Anthocyanidin-3-o-glycoside
Flavonoid-3-o-glycoside
Hydroxyflavonoid
3'-hydroxyflavonoid
4'-hydroxyflavonoid
7-hydroxyflavonoid
5-hydroxyflavonoid
Anthocyanidin
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Benzopyran
1-benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Oxane
Monosaccharide
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Polyol
Acetal
Primary alcohol
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Organooxygen compound
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

monosaccharide derivative (CHEBI:27475 )
anthocyanin cation (CHEBI:27475 )
beta-D-galactoside (CHEBI:27475 )
Anthocyanidins (C08647 )
Anthocyanidins and anthocyanins (C08647 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 17709440)

Excreta

Biofluid or Excreta

Urine (PMID: 17709440)

Cellular substructure

Extracellular (HMDB: HMDB0037977)
Cytoplasm (HMDB: HMDB0037977)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037977)

Source

Exogenous

Exogenous (HMDB: HMDB0037977)

Food

Food (HMDB: HMDB0037977)

Fruit

Pome

Apple (FooDB: FOOD00105)
Pear (FooDB: FOOD00152)
Pomes (FooDB: FOOD00856)

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Lingonberry (FooDB: FOOD00194)
Strawberry (FooDB: FOOD00083)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Red raspberry (FooDB: FOOD00162)
Black elderberry (FooDB: FOOD00166)
Black chokeberry (FooDB: FOOD00136)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Canada blueberry (FooDB: FOOD00211)
Summer grape (FooDB: FOOD00227)
Rabbiteye blueberry (FooDB: FOOD00898)

Drupe

Sweet cherry (FooDB: FOOD00145)

Fruits (FooDB: FOOD00871)

Cereal and cereal product

Cereal

Cereal product

Cereals and cereal products (FooDB: FOOD00858)

Soy

Soy bean (FooDB: FOOD00085)

Vegetable

Root vegetable

Carrot (FooDB: FOOD00245)
Wild carrot (FooDB: FOOD00072)

Nut

Pistachio (FooDB: FOOD00140)
Nuts (FooDB: FOOD00869)

Tea

Herb and spice

Herb

Amaranth (FooDB: FOOD00288)
Teff (FooDB: FOOD00489)

Other seed

Quinoa (FooDB: FOOD00441)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.6 g/L	ALOGPS
logP	0.98	ALOGPS
logP	0.39	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	6.39	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	193.44 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	116.26 m³·mol⁻¹	ChemAxon
Polarizability	43.04 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	200.565	31661259
DarkChem	[M-H]-	196.89	31661259
DeepCCS	[M+H]+	197.422	30932474
DeepCCS	[M-H]-	195.026	30932474
DeepCCS	[M-2H]-	228.186	30932474
DeepCCS	[M+Na]+	203.334	30932474
AllCCS	[M+H]+	203.3	32859911
AllCCS	[M+H-H2O]+	200.8	32859911
AllCCS	[M+NH4]+	205.5	32859911
AllCCS	[M+Na]+	206.1	32859911
AllCCS	[M-H]-	200.6	32859911
AllCCS	[M+Na-2H]-	201.0	32859911
AllCCS	[M+HCOO]-	201.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Cyanidin 3-galactoside	OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O	6543.7	Standard polar	33892256
Cyanidin 3-galactoside	OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O	4510.0	Standard non polar	33892256
Cyanidin 3-galactoside	OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O	4388.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Cyanidin 3-galactoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	4248.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4341.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C12	4288.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	4288.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	4276.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@H](CO)[C@H](O)[C@@H]1O	4294.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H]1O	4274.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O	4272.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	4129.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4148.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4170.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	4131.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	4143.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	4142.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	4149.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C=C12	4136.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C=C12	4142.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C=C12	4162.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	4130.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	4141.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	4133.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	4159.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	4159.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	4121.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	4125.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	4151.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O	4154.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H]1O[Si](C)(C)C	4178.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O[Si](C)(C)C	4156.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	4112.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	4113.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	4177.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	4163.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	4170.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #8	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4138.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4144.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	3975.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	4009.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	4035.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	4022.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	4019.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3990.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	4017.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	4016.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3984.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	4016.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4072.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	3953.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4100.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4066.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #22	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3983.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #23	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3966.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #24	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3991.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #25	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3968.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #26	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3982.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4031.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4027.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3941.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	3948.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3947.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4038.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3924.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3929.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3951.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3958.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3999.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #37	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O	3946.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #38	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	3932.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #39	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	3956.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	4036.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #40	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	3998.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #41	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	3947.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #42	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	3931.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #43	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	3957.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #44	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C=C12	4026.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C=C12	4025.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C12	4035.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #47	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	4006.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #48	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	4005.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	4031.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	4011.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #50	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O	4022.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #51	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C	4022.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4043.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	4006.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	4007.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O	4022.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #56	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@@H]1CO	4072.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	4034.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	3944.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	3945.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	4034.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	3876.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	3849.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3822.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	3863.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3957.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3986.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3961.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	3910.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	3867.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3843.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	3882.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	3879.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	3860.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3836.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	3874.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3967.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3993.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3973.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	3956.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3923.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	3964.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3931.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	3907.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3960.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3935.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3925.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3950.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3930.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4065.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #36	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3896.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #37	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3896.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #38	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3881.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #39	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3891.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3876.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #40	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3904.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #41	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3867.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #42	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3872.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #43	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3880.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #44	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3890.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #45	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3933.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3999.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3868.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3865.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3868.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	3916.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3863.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3919.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3870.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #53	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3867.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #54	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3892.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #55	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3915.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O	3854.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #57	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O	3856.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #58	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C	3904.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #59	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O	3859.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	3889.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #60	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C	3882.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #61	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3902.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #62	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=CC=C1O	3853.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #63	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC=C1O	3852.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #64	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O	3857.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #65	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=C12	3987.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #66	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O	3957.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C	3957.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3959.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #69	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3965.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	3855.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O	3960.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3827.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	3868.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	3881.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3863.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	3875.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3850.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	3887.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3833.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3849.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3845.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3830.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3843.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3843.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	3846.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3965.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	3890.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3866.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	3905.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3848.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3866.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3863.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3844.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3860.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3859.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3833.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3985.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3913.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3931.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3923.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3931.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3923.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #36	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	3873.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #37	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3865.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #38	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3870.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #39	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3859.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	3852.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #40	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3863.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #41	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3891.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #42	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3854.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #43	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3858.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #44	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3880.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #45	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3892.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3879.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3875.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3893.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3889.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	3851.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3891.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #51	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O	3867.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C	3881.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3877.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3878.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #55	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC=C1O	3864.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3952.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3838.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	3856.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3849.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3867.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	3875.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3874.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3873.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3881.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3881.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3875.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3876.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3887.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3897.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3899.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3891.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	3859.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3889.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3943.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #22	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3869.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #23	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3874.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #24	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3888.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #25	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3877.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #26	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3875.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3905.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3897.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	3877.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3843.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3848.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3855.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3850.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3856.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,6TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3863.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	4530.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4584.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C12	4560.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	4567.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	4572.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@H](CO)[C@H](O)[C@@H]1O	4555.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H]1O	4538.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O	4540.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	4612.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4637.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4652.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4637.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4626.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O	4621.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=CC=C1O	4608.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C=C12	4625.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C12	4631.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C12	4645.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	4616.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	4621.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC=C1O	4620.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	4642.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4661.7	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O	4622.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O	4626.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O	4651.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4666.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H]1O[Si](C)(C)C(C)(C)C	4681.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4648.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	4626.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	4615.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4665.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4638.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4643.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4623.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4633.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	4682.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4669.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4692.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	4705.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4681.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4647.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4667.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4664.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4633.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4652.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4712.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	4686.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4745.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4715.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4708.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4700.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4713.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4780.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4763.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4687.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4700.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4718.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	4673.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4708.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1	4713.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4712.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4701.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4728.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4716.3	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4751.6	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O	4697.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O	4694.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O	4710.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4687.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4728.8	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC=C1O	4686.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC=C1O	4682.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	4696.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=C12	4671.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=C12	4687.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=C12	4698.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC=C1O	4655.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	4667.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4715.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4654.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O	4683.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C	4710.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4730.9	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O	4663.1	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O	4677.4	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O	4694.0	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@@H]1CO	4726.5	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4677.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O	4709.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@H]1O	4698.2	Semi standard non polar	33892256
Cyanidin 3-galactoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4696.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3-galactoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-001r-9613500000-4ecd805029dccd975fed	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3-galactoside GC-MS (3 TMS) - 70eV, Positive	splash10-0002-6620019000-8d5ae8efad054c2ab4aa	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3-galactoside GC-MS (TMS_3_50) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3-galactoside GC-MS (TMS_4_64) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3-galactoside GC-MS (TMS_4_66) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3-galactoside GC-MS (TMS_5_55) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3-galactoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 3-galactoside GC-MS ("Cyanidin 3-galactoside,3TMS,#50" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cyanidin 3-galactoside LC-ESI-QTOF , negative-QTOF	splash10-001j-0190300000-066e4efe2ad20a1bf618	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cyanidin 3-galactoside LC-ESI-QTOF , negative-QTOF	splash10-0170-0982400000-096c82f5e6fc50eb3a1f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cyanidin 3-galactoside LC-ESI-QTOF , negative-QTOF	splash10-001i-0090000000-a98c476e0842377a0be6	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cyanidin 3-galactoside LC-ESI-QTOF , negative-QTOF	splash10-014m-0950000000-b95724097dd0841523e6	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cyanidin 3-galactoside LC-ESI-QTOF , negative-QTOF	splash10-001j-0090300000-4118b3f51610a89ec6bd	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cyanidin 3-galactoside LC-ESI-QTOF , positive-QTOF	splash10-000i-0090100000-34fecd8af8ace7f092c0	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cyanidin 3-galactoside LC-ESI-QTOF , positive-QTOF	splash10-000i-0090000000-fc644549112cedb4265f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Cyanidin 3-galactoside LC-ESI-QTOF , positive-QTOF	splash10-000i-0090100000-0407b88d0009c9229fdf	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-galactoside 10V, Positive-QTOF	splash10-0udi-0100900000-66702edb3ac17b9bcd2f	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-galactoside 20V, Positive-QTOF	splash10-0002-1300900000-733c7273cc2b516ea7fd	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-galactoside 40V, Positive-QTOF	splash10-01ot-6910000000-5dad4cb81406b2f0a241	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-galactoside 10V, Negative-QTOF	splash10-0002-2300900000-5d1238580ea9280c8190	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-galactoside 20V, Negative-QTOF	splash10-0002-6800900000-f91084c3d800ee4ef894	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-galactoside 40V, Negative-QTOF	splash10-0596-9300000000-1ee778ebb732d2be0d87	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-galactoside 10V, Positive-QTOF	splash10-000j-0061900000-b3d22fc8233274bb4ac2	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-galactoside 20V, Positive-QTOF	splash10-000i-0091200000-218723bb02667d2114f5	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 3-galactoside 40V, Positive-QTOF	splash10-009i-2091100000-e8b2df5780fffa75ac4a	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	17709440	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	16861803	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	21987074	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	16251615	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	19351112	details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	16968056	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	17709440	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	16861803	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	21987074	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	16251615	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	19351112	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 8	16968056	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

441699

PDB ID

Not Available

ChEBI ID

27475

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1700101

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Cyanidin 3-galactoside (HMDB0037977)

MOL for HMDB0037977 (Cyanidin 3-galactoside)

3D MOL for HMDB0037977 (Cyanidin 3-galactoside)

3D SDF for HMDB0037977 (Cyanidin 3-galactoside)

3D-SDF for HMDB0037977 (Cyanidin 3-galactoside)

PDB for HMDB0037977 (Cyanidin 3-galactoside)

3D PDB for HMDB0037977 (Cyanidin 3-galactoside)

SMILES for HMDB0037977 (Cyanidin 3-galactoside)

INCHI for HMDB0037977 (Cyanidin 3-galactoside)

Structure for HMDB0037977 (Cyanidin 3-galactoside)

3D Structure for HMDB0037977 (Cyanidin 3-galactoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra