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Showing metabocard for Cyanidin 3-glucoside (HMDB0030684)

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enzymes (2) Show 2 proteins
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:38:24 UTC
Update Date2022-03-07 02:52:39 UTC
HMDB IDHMDB0030684
Secondary Accession Numbers
  • HMDB0125126
  • HMDB30684
Metabolite Identification
Common NameCyanidin 3-glucoside
DescriptionCyanidin 3-glucoside, also known as chrysanthenin or cyanidin 3-glucoside chloride (CAS: 7084-24-4), belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Cyanidin 3-glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, cyanidin 3-glucoside is found, on average, in the highest concentration within a few different foods, such as black elderberries, rubus (blackberry, raspberry), and bilberries and in a lower concentration in redcurrants, strawberries, and sweet oranges. Cyanidin 3-glucoside has also been detected, but not quantified in, several different foods, such as common pea, peaches, Tartary buckwheats, soft-necked garlic, and fats and oils. This could make cyanidin 3-glucoside a potential biomarker for the consumption of these foods. Cyanidin (and its glycosides) is the most commonly occurring of the anthocyanins, a widespread group of pigments responsible for the red-blue colour of many fruits and vegetables (PMID: 14711454 ). BioTransformer predicts that cyanidin 3-​glucoside is a product of cyanidin 3-​sophoroside metabolism via a glycoside-hydrolysis reaction occurring in human gut microbiota and catalyzed by the EC.3.2.1.X enzyme (PMID: 30612223 ).
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0030684 (Cyanidin 3-glucoside)


  Mrv1652309042000372D          

 32 35  0  0  0  0            999 V2000
   -1.6612    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3757   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3757   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6612   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9467   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9467   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2323    0.0208    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2323   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9111    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9111   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0901    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6612   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9111    2.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3401    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -2.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -3.6917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1967   -4.1042    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9112   -3.6917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9112   -2.8667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1967   -2.4542    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6256   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6257   -4.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967   -4.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2322   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2322   -4.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  1  6  1  0  0  0  0
  7  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7 10  2  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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 12 16  2  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
  9 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 27 19  1  1  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  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  6  0  0  0
 25 29  1  1  0  0  0
 24 30  1  6  0  0  0
 23 31  1  1  0  0  0
 31 32  1  0  0  0  0
M  CHG  1   7   1
M  END
Download

3D MOL for HMDB0030684 (Cyanidin 3-glucoside)

HMDB0030684
     RDKit          3D
Cyanidin 3-glucoside
 53 56  0  0  0  0  0  0  0  0999 V2000
    4.5517   -2.7912    0.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2569   -2.6175   -0.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5286   -1.2690   -0.9493 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3898   -1.3454   -0.1801 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7498   -0.1090   -0.1403 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4597   -0.1533    0.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230    0.1894   -0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085    0.7158   -1.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0286    1.0650   -2.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1508    1.5830   -3.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9653    1.7433   -4.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3682    1.9355   -3.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5084    1.7586   -3.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7511    2.1206   -3.6164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4269    1.2445   -1.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2014    0.8986   -1.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0541    0.4069   -0.0739 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9062    0.0542    0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0311   -0.4713    1.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9686   -0.8790    2.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941   -1.3883    3.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3485   -1.4776    4.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169   -1.9730    5.7102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4658   -1.0800    3.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7467   -1.1679    4.2497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2851   -0.5890    2.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6613    0.8131    0.6489 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9770    1.9402    1.0222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8638    1.1179   -0.2216 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7660    1.8600    0.5348 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5248   -0.2351   -0.4869 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4704   -0.0512   -1.4680 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7800   -2.4426    1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321   -3.4283   -1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2471   -2.5444   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3349   -1.1121   -2.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7489    0.2868   -1.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550    0.8691   -2.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9532    2.1128   -4.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4198    2.3411   -4.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2961    1.4444   -4.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3231    1.1182   -1.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440   -0.8282    2.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260   -1.6961    4.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7471   -2.2767    6.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5352   -0.8765    3.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1485   -0.2643    1.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    0.2097    1.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8330    2.4846    0.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893    1.6144   -1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2861    2.2675    1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9376   -0.5704    0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2689   -0.5576   -2.2767 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  6
  5 37  1  6
  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  1
 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
Download

3D SDF for HMDB0030684 (Cyanidin 3-glucoside)


  Mrv1652309042000372D          

 32 35  0  0  0  0            999 V2000
   -1.6612    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3757   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3757   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6612   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9467   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9467   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2323    0.0208    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2323   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9111    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9111   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0901    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6612   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9111    2.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3401    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -2.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -3.6917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1967   -4.1042    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9112   -3.6917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9112   -2.8667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1967   -2.4542    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6256   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6257   -4.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967   -4.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2322   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2322   -4.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  1  6  1  0  0  0  0
  7  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7 10  2  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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 12 16  2  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
  9 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 27 19  1  1  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  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  6  0  0  0
 25 29  1  1  0  0  0
 24 30  1  6  0  0  0
 23 31  1  1  0  0  0
 31 32  1  0  0  0  0
M  CHG  1   7   1
M  END
> <DATABASE_ID>
HMDB0030684

> <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-GQUPQBGVSA-O

> <FORMULA>
C21H21O11

> <MOLECULAR_WEIGHT>
449.3848

> <EXACT_MASS>
449.108386514

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
43.136011151714726

> <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,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-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>
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0030684 (Cyanidin 3-glucoside)

HMDB0030684
     RDKit          3D
Cyanidin 3-glucoside
 53 56  0  0  0  0  0  0  0  0999 V2000
    4.5517   -2.7912    0.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2569   -2.6175   -0.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5286   -1.2690   -0.9493 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3898   -1.3454   -0.1801 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7498   -0.1090   -0.1403 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4597   -0.1533    0.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230    0.1894   -0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085    0.7158   -1.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0286    1.0650   -2.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1508    1.5830   -3.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9653    1.7433   -4.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3682    1.9355   -3.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5084    1.7586   -3.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7511    2.1206   -3.6164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4269    1.2445   -1.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2014    0.8986   -1.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0541    0.4069   -0.0739 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9062    0.0542    0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0311   -0.4713    1.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9686   -0.8790    2.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941   -1.3883    3.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3485   -1.4776    4.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169   -1.9730    5.7102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4658   -1.0800    3.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7467   -1.1679    4.2497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2851   -0.5890    2.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6613    0.8131    0.6489 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9770    1.9402    1.0222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8638    1.1179   -0.2216 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7660    1.8600    0.5348 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5248   -0.2351   -0.4869 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4704   -0.0512   -1.4680 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7800   -2.4426    1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321   -3.4283   -1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2471   -2.5444   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3349   -1.1121   -2.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7489    0.2868   -1.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550    0.8691   -2.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9532    2.1128   -4.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4198    2.3411   -4.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2961    1.4444   -4.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3231    1.1182   -1.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440   -0.8282    2.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260   -1.6961    4.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7471   -2.2767    6.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5352   -0.8765    3.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1485   -0.2643    1.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    0.2097    1.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8330    2.4846    0.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893    1.6144   -1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2861    2.2675    1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9376   -0.5704    0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2689   -0.5576   -2.2767 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  6
  5 37  1  6
  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  1
 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
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PDB for HMDB0030684 (Cyanidin 3-glucoside)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0      -3.101   0.039   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.435  -0.731   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.435  -2.271   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.101  -3.041   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.767  -2.271   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.767  -0.731   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.434   0.039   0.000  0.00  0.00           O+1
HETATM    8  C   UNK     0      -0.434  -3.041   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.900  -2.271   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.900  -0.731   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.234   0.039   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.567   2.349   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.234   1.579   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.567  -0.731   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.901   0.039   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.901   1.579   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -5.768   0.039   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -3.101  -4.581   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.234  -3.041   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       3.567   3.889   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       6.235   2.349   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.900  -5.351   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.900  -6.891   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.234  -7.661   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.568  -6.891   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.568  -5.351   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.234  -4.581   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       4.901  -4.581   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.901  -7.661   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       2.234  -9.201   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -0.433  -7.661   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.433  -9.201   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   18                                                  
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5                                                  
CONECT    7    6   10                                                       
CONECT    8    5    9                                                       
CONECT    9    8   10   19                                                  
CONECT   10    9    7   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   15   12   21                                                  
CONECT   17    2                                                            
CONECT   18    4                                                            
CONECT   19    9   27                                                       
CONECT   20   12                                                            
CONECT   21   16                                                            
CONECT   22   23   27                                                       
CONECT   23   22   24   31                                                  
CONECT   24   23   25   30                                                  
CONECT   25   24   26   29                                                  
CONECT   26   25   27   28                                                  
CONECT   27   19   26   22                                                  
CONECT   28   26                                                            
CONECT   29   25                                                            
CONECT   30   24                                                            
CONECT   31   23   32                                                       
CONECT   32   31                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END
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3D PDB for HMDB0030684 (Cyanidin 3-glucoside)

COMPND    HMDB0030684
HETATM    1  O1  UNL     1       4.552  -2.791   0.504  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.257  -2.618  -0.855  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.529  -1.269  -0.949  1.00  0.00           C  
HETATM    4  O2  UNL     1       2.390  -1.345  -0.180  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.750  -0.109  -0.140  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.460  -0.153   0.342  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.723   0.189  -0.185  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.809   0.716  -1.482  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.029   1.065  -2.015  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.151   1.583  -3.282  1.00  0.00           C  
HETATM   11  O4  UNL     1      -0.965   1.743  -4.019  1.00  0.00           O  
HETATM   12  C8  UNL     1      -3.368   1.935  -3.824  1.00  0.00           C  
HETATM   13  C9  UNL     1      -4.508   1.759  -3.058  1.00  0.00           C  
HETATM   14  O5  UNL     1      -5.751   2.121  -3.616  1.00  0.00           O  
HETATM   15  C10 UNL     1      -4.427   1.245  -1.790  1.00  0.00           C  
HETATM   16  C11 UNL     1      -3.201   0.899  -1.267  1.00  0.00           C  
HETATM   17  O6  UNL     1      -3.054   0.407  -0.074  1.00  0.00           O1+
HETATM   18  C12 UNL     1      -1.906   0.054   0.488  1.00  0.00           C  
HETATM   19  C13 UNL     1      -2.031  -0.471   1.841  1.00  0.00           C  
HETATM   20  C14 UNL     1      -0.969  -0.879   2.598  1.00  0.00           C  
HETATM   21  C15 UNL     1      -1.094  -1.388   3.900  1.00  0.00           C  
HETATM   22  C16 UNL     1      -2.349  -1.478   4.432  1.00  0.00           C  
HETATM   23  O7  UNL     1      -2.517  -1.973   5.710  1.00  0.00           O  
HETATM   24  C17 UNL     1      -3.466  -1.080   3.714  1.00  0.00           C  
HETATM   25  O8  UNL     1      -4.747  -1.168   4.250  1.00  0.00           O  
HETATM   26  C18 UNL     1      -3.285  -0.589   2.444  1.00  0.00           C  
HETATM   27  C19 UNL     1       2.661   0.813   0.649  1.00  0.00           C  
HETATM   28  O9  UNL     1       1.977   1.940   1.022  1.00  0.00           O  
HETATM   29  C20 UNL     1       3.864   1.118  -0.222  1.00  0.00           C  
HETATM   30  O10 UNL     1       4.766   1.860   0.535  1.00  0.00           O  
HETATM   31  C21 UNL     1       4.525  -0.235  -0.487  1.00  0.00           C  
HETATM   32  O11 UNL     1       5.470  -0.051  -1.468  1.00  0.00           O  
HETATM   33  H1  UNL     1       3.780  -2.443   1.006  1.00  0.00           H  
HETATM   34  H2  UNL     1       3.632  -3.428  -1.242  1.00  0.00           H  
HETATM   35  H3  UNL     1       5.247  -2.544  -1.374  1.00  0.00           H  
HETATM   36  H4  UNL     1       3.335  -1.112  -2.030  1.00  0.00           H  
HETATM   37  H5  UNL     1       1.749   0.287  -1.175  1.00  0.00           H  
HETATM   38  H6  UNL     1       0.055   0.869  -2.110  1.00  0.00           H  
HETATM   39  H7  UNL     1      -0.953   2.113  -4.949  1.00  0.00           H  
HETATM   40  H8  UNL     1      -3.420   2.341  -4.827  1.00  0.00           H  
HETATM   41  H9  UNL     1      -6.296   1.444  -4.142  1.00  0.00           H  
HETATM   42  H10 UNL     1      -5.323   1.118  -1.219  1.00  0.00           H  
HETATM   43  H11 UNL     1       0.044  -0.828   2.226  1.00  0.00           H  
HETATM   44  H12 UNL     1      -0.226  -1.696   4.456  1.00  0.00           H  
HETATM   45  H13 UNL     1      -1.747  -2.277   6.280  1.00  0.00           H  
HETATM   46  H14 UNL     1      -5.535  -0.877   3.717  1.00  0.00           H  
HETATM   47  H15 UNL     1      -4.148  -0.264   1.847  1.00  0.00           H  
HETATM   48  H16 UNL     1       3.042   0.210   1.499  1.00  0.00           H  
HETATM   49  H17 UNL     1       1.833   2.485   0.201  1.00  0.00           H  
HETATM   50  H18 UNL     1       3.589   1.614  -1.174  1.00  0.00           H  
HETATM   51  H19 UNL     1       4.286   2.267   1.286  1.00  0.00           H  
HETATM   52  H20 UNL     1       4.938  -0.570   0.485  1.00  0.00           H  
HETATM   53  H21 UNL     1       5.269  -0.558  -2.277  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
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SMILES for HMDB0030684 (Cyanidin 3-glucoside)

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
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INCHI for HMDB0030684 (Cyanidin 3-glucoside)

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
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Cyanidin 3-O-glucosideChEBI
Cyanidin 3-O-beta-D-glucosideKegg
Cyanidin 3-O-b-D-glucosideGenerator
Cyanidin 3-O-β-D-glucosideGenerator
ChrysonteminHMDB
Cyanidin 3-monoglucosideHMDB
Cyanidol 3-glucosideHMDB
GlucocyanidinHMDB
KuromamineHMDB
Cyanidin 3-O-glucopyranosideMeSH
Cyanidin 3-O-beta-D-glucopyranosideMeSH
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyryliumHMDB
2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyryliumHMDB
3-(beta-D-Glucopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium chlorideHMDB
3-(β-D-Glucopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium chlorideHMDB
3-(β-D-Glucopyranosyloxy)-3’,4’,5,7-tetrahydroxyflavylium chlorideHMDB
3-O-(beta-D-Glucopyranosyl)cyanidinHMDB
3-O-(β-D-Glucopyranosyl)cyanidinHMDB
AsterinHMDB
ChrysantheminHMDB
ChrysantheninHMDB
Cyanidin 3-O-beta-glucopyranosideHMDB
Cyanidin 3-O-beta-glucosideHMDB
Cyanidin 3-O-glucoside chlorideHMDB
Cyanidin 3-O-β-D-glucopyranosideHMDB
Cyanidin 3-O-β-glucopyranosideHMDB
Cyanidin 3-O-β-glucosideHMDB
Cyanidin 3-beta-D-O-glucosideHMDB
Cyanidin 3-beta-D-glucopyranosideHMDB
Cyanidin 3-beta-O-glucosideHMDB
Cyanidin 3-beta-glucopyranosideHMDB
Cyanidin 3-beta-glucosideHMDB
Cyanidin 3-beta-glucoside cationHMDB
Cyanidin 3-glucosideHMDB
Cyanidin 3-glucoside chlorideHMDB
Cyanidin 3-β-D-O-glucosideHMDB
Cyanidin 3-β-D-glucopyranosideHMDB
Cyanidin 3-β-O-glucosideHMDB
Cyanidin 3-β-glucopyranosideHMDB
Cyanidin 3-β-glucosideHMDB
Cyanidin 3-β-glucoside cationHMDB
KuromaninHMDB
KuromanineHMDB
Chemical FormulaC21H21O11
Average Molecular Weight449.3848
Monoisotopic Molecular Weight449.108386514
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
Traditional Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
CAS Registry Number47705-70-4
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 KeyRKWHWFONKJEUEF-GQUPQBGVSA-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.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentAnthocyanidin-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 FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Industrial applicationBiological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.6 g/LALOGPS
logP0.98ALOGPS
logP0.39ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)6.39ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area193.44 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity116.26 m³·mol⁻¹ChemAxon
Polarizability43.14 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+201.21531661259
DarkChem[M-H]-197.18731661259
DeepCCS[M+H]+197.430932474
DeepCCS[M-H]-195.00530932474
DeepCCS[M-2H]-228.15530932474
DeepCCS[M+Na]+203.31330932474
AllCCS[M+H]+203.332859911
AllCCS[M+H-H2O]+200.832859911
AllCCS[M+NH4]+205.532859911
AllCCS[M+Na]+206.132859911
AllCCS[M-H]-200.632859911
AllCCS[M+Na-2H]-201.032859911
AllCCS[M+HCOO]-201.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cyanidin 3-glucosideOC[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]1O6543.7Standard polar33892256
Cyanidin 3-glucosideOC[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]1O4510.0Standard non polar33892256
Cyanidin 3-glucosideOC[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]1O4388.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cyanidin 3-glucoside,1TMS,isomer #1C[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]1O4248.5Semi standard non polar33892256
Cyanidin 3-glucoside,1TMS,isomer #2C[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=C14341.8Semi standard non polar33892256
Cyanidin 3-glucoside,1TMS,isomer #3C[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=C124288.9Semi standard non polar33892256
Cyanidin 3-glucoside,1TMS,isomer #4C[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=C1O4288.6Semi standard non polar33892256
Cyanidin 3-glucoside,1TMS,isomer #5C[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=C1O4276.1Semi standard non polar33892256
Cyanidin 3-glucoside,1TMS,isomer #6C[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]1O4294.6Semi standard non polar33892256
Cyanidin 3-glucoside,1TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](O)[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]1O4274.5Semi standard non polar33892256
Cyanidin 3-glucoside,1TMS,isomer #8C[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]1O4272.0Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #1C[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]1O4129.0Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #10C[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=C14148.9Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #11C[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=C14170.9Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #12C[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=C14131.3Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #13C[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=C14143.9Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #14C[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=C1O4142.2Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #15C[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=C1O4149.2Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #16C[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=C124136.5Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #17C[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=C124142.0Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #18C[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=C124162.7Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #19C[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=C1O4130.7Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #2C[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]1O4141.0Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #20C[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=C1O4133.4Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #21C[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=C1O4159.2Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #22C[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)C4159.1Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #23C[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=C1O4121.6Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #24C[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=C1O4125.2Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #25C[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=C1O4151.6Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #26C[Si](C)(C)O[C@H]1[C@H](O)[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]1CO4154.5Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #27C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O4178.9Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #28C[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)C4156.3Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #3C[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]1O4112.2Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #4C[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]1O4113.1Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #5C[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]1O4177.6Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #6C[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]1O4163.9Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #7C[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)C4170.6Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #8C[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=C14138.2Semi standard non polar33892256
Cyanidin 3-glucoside,2TMS,isomer #9C[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=C14144.6Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #1C[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]1O3975.2Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #10C[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]1O4009.9Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #11C[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)C4035.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #12C[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]1O4022.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #13C[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]1O4019.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #14C[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]1O3990.3Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #15C[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)C4017.9Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #16C[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]1O4016.9Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #17C[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]1O3984.7Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #18C[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)C4016.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #19C[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]1O4072.7Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #2C[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]1O3953.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #20C[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)C4100.7Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #21C[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)C4066.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #22C[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=C13983.9Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #23C[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=C13966.3Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #24C[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=C13991.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #25C[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=C13968.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #26C[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=C13982.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #27C[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=C14031.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #28C[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=C14027.7Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #29C[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=C13941.3Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #3C[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]1O3948.7Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #30C[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=C13947.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #31C[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=C14038.3Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #32C[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=C13924.7Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #33C[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=C13929.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #34C[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=C13951.9Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #35C[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=C13958.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #36C[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=C13999.7Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #37C[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=C1O3946.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #38C[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=C1O3932.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #39C[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=C1O3956.2Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #4C[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]1O4036.0Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #40C[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)C3998.3Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #41C[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=C1O3947.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #42C[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=C1O3931.0Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #43C[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=C1O3957.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #44C[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=C124026.6Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #45C[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=C124025.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #46C[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=C124035.9Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #47C[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=C1O4006.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #48C[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=C1O4005.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #49C[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)C4031.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #5C[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]1O4011.7Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #50C[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=C1O4022.7Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #51C[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)C4022.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #52C[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)C4043.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #53C[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=C1O4006.6Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #54C[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=C1O4007.2Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #55C[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=C1O4022.3Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #56C[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O[Si](C)(C)C4072.6Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #6C[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)C4034.2Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #7C[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]1O3944.6Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #8C[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]1O3945.3Semi standard non polar33892256
Cyanidin 3-glucoside,3TMS,isomer #9C[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]1O4034.0Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #1C[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]1O3876.2Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #10C[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]1O3849.9Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #11C[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]1O3822.9Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #12C[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)C3863.8Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #13C[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]1O3957.0Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #14C[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)C3986.5Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #15C[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)C3961.0Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #16C[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]1O3910.4Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #17C[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]1O3867.5Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #18C[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]1O3843.5Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #19C[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)C3882.3Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #2C[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]1O3879.8Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #20C[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]1O3860.6Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #21C[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]1O3836.0Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #22C[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)C3874.5Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #23C[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]1O3967.7Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #24C[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)C3993.1Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #25C[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)C3973.6Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #26C[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]1O3956.7Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #27C[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]1O3923.9Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #28C[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)C3964.3Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #29C[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]1O3931.6Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #3C[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]1O3907.0Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #30C[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)C3960.3Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #31C[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)C3935.8Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #32C[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]1O3925.6Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #33C[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)C3950.3Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #34C[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)C3930.1Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #35C[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)C4065.3Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #36C[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=C13896.2Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #37C[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=C13896.8Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #38C[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=C13881.9Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #39C[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=C13891.1Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #4C[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]1O3876.1Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #40C[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=C13904.6Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #41C[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=C13867.0Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #42C[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=C13872.1Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #43C[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=C13880.8Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #44C[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=C13890.9Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #45C[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=C13933.6Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #46C[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=C13999.4Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #47C[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=C13868.8Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #48C[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=C13865.6Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #49C[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=C13868.7Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #5C[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)C3916.2Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #50C[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=C13863.1Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #51C[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=C13919.2Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #52C[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=C13870.7Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #53C[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=C13867.5Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #54C[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=C13892.4Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #55C[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=C13915.4Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #56C[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=C1O3854.9Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #57C[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=C1O3856.7Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #58C[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)C3904.4Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #59C[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=C1O3859.0Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #6C[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]1O3889.7Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #60C[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)C3882.3Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #61C[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)C3902.2Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #62C[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=C1O3853.3Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #63C[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=C1O3852.5Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #64C[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=C1O3857.4Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #65C[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=C123987.4Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #66C[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=C1O3957.6Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #67C[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)C3957.4Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #68C[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)C3959.8Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #69C[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)C3965.9Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #7C[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]1O3855.8Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #70C[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=C1O3960.5Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #8C[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]1O3827.7Semi standard non polar33892256
Cyanidin 3-glucoside,4TMS,isomer #9C[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)C3868.3Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #1C[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]1O3881.5Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #10C[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)C3863.4Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #11C[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]1O3875.0Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #12C[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]1O3850.3Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #13C[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)C3887.6Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #14C[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]1O3833.1Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #15C[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)C3849.3Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #16C[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)C3845.1Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #17C[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]1O3830.4Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #18C[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)C3843.7Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #19C[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)C3843.3Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #2C[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]1O3846.0Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #20C[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)C3965.7Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #21C[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]1O3890.4Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #22C[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]1O3866.8Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #23C[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)C3905.5Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #24C[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]1O3848.9Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #25C[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)C3866.3Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #26C[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)C3863.0Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #27C[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]1O3844.4Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #28C[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)C3860.2Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #29C[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)C3859.6Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #3C[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]1O3833.5Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #30C[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)C3985.2Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #31C[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]1O3913.6Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #32C[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)C3931.1Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #33C[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)C3923.8Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #34C[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)C3931.5Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #35C[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)C3923.2Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #36C[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=C13873.8Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #37C[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=C13865.4Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #38C[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=C13870.7Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #39C[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=C13859.8Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #4C[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)C3852.9Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #40C[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=C13863.1Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #41C[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=C13891.8Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #42C[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=C13854.7Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #43C[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=C13858.3Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #44C[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=C13880.7Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #45C[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=C13892.6Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #46C[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=C13879.7Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #47C[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=C13875.6Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #48C[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=C13893.3Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #49C[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=C13889.3Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #5C[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]1O3851.2Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #50C[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=C13891.3Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #51C[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=C1O3867.4Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #52C[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)C3881.2Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #53C[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)C3877.1Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #54C[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)C3878.6Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #55C[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=C1O3864.8Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #56C[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)C3952.9Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #6C[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]1O3838.7Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #7C[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)C3856.0Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #8C[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]1O3849.7Semi standard non polar33892256
Cyanidin 3-glucoside,5TMS,isomer #9C[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)C3867.2Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #1C[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]1O3875.5Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #10C[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)C3874.7Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #11C[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]1O3873.1Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #12C[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)C3881.0Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #13C[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)C3881.6Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #14C[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)C3875.7Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #15C[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)C3876.8Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #16C[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]1O3887.1Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #17C[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)C3897.6Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #18C[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)C3899.1Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #19C[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)C3891.8Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #2C[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]1O3859.3Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #20C[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)C3889.7Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #21C[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)C3943.0Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #22C[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=C13869.9Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #23C[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=C13874.7Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #24C[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=C13888.4Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #25C[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=C13877.1Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #26C[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=C13875.3Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #27C[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=C13905.7Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #28C[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)C3897.4Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #3C[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)C3877.7Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #4C[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]1O3843.8Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #5C[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)C3848.7Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #6C[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)C3855.3Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #7C[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]1O3850.1Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #8C[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)C3856.9Semi standard non polar33892256
Cyanidin 3-glucoside,6TMS,isomer #9C[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)C3863.7Semi standard non polar33892256
Cyanidin 3-glucoside,1TBDMS,isomer #1CC(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]1O4530.5Semi standard non polar33892256
Cyanidin 3-glucoside,1TBDMS,isomer #2CC(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=C14584.1Semi standard non polar33892256
Cyanidin 3-glucoside,1TBDMS,isomer #3CC(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=C124560.0Semi standard non polar33892256
Cyanidin 3-glucoside,1TBDMS,isomer #4CC(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=C1O4567.3Semi standard non polar33892256
Cyanidin 3-glucoside,1TBDMS,isomer #5CC(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=C1O4572.8Semi standard non polar33892256
Cyanidin 3-glucoside,1TBDMS,isomer #6CC(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]1O4555.3Semi standard non polar33892256
Cyanidin 3-glucoside,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[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]1O4538.9Semi standard non polar33892256
Cyanidin 3-glucoside,1TBDMS,isomer #8CC(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]1O4540.2Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #1CC(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]1O4612.2Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #10CC(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=C14637.8Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #11CC(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=C14652.8Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #12CC(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=C14637.0Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #13CC(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=C14626.6Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #14CC(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=C1O4621.4Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #15CC(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=C1O4608.7Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #16CC(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=C124625.1Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #17CC(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=C124631.2Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #18CC(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=C124645.3Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #19CC(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=C1O4616.5Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #2CC(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]1O4621.8Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #20CC(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=C1O4620.8Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #21CC(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=C1O4642.3Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #22CC(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)C4661.7Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #23CC(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=C1O4622.5Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #24CC(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=C1O4626.6Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #25CC(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=C1O4651.6Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[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]1CO4666.5Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O4681.2Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #28CC(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)C4648.3Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #3CC(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]1O4626.3Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #4CC(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]1O4615.9Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #5CC(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]1O4665.3Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #6CC(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]1O4638.0Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #7CC(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)C4643.3Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #8CC(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=C14623.8Semi standard non polar33892256
Cyanidin 3-glucoside,2TBDMS,isomer #9CC(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=C14633.2Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #1CC(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]1O4682.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #10CC(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]1O4669.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #11CC(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)C4692.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #12CC(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]1O4705.9Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #13CC(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]1O4681.2Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #14CC(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]1O4647.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #15CC(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)C4667.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #16CC(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]1O4664.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #17CC(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]1O4633.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #18CC(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)C4652.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #19CC(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]1O4712.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #2CC(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]1O4686.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #20CC(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)C4745.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #21CC(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)C4715.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #22CC(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=C14708.3Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #23CC(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=C14700.2Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #24CC(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=C14713.0Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #25CC(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=C14780.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #26CC(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=C14763.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #27CC(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=C14687.6Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #28CC(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=C14700.9Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #29CC(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=C14718.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #3CC(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]1O4673.6Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #30CC(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=C14708.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #31CC(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=C14713.3Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #32CC(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=C14712.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #33CC(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=C14701.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #34CC(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=C14728.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #35CC(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=C14716.3Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #36CC(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=C14751.6Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #37CC(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=C1O4697.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #38CC(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=C1O4694.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #39CC(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=C1O4710.0Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #4CC(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]1O4687.2Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #40CC(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)C4728.8Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #41CC(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=C1O4686.9Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #42CC(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=C1O4682.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #43CC(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=C1O4696.9Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #44CC(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=C124671.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #45CC(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=C124687.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #46CC(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=C124698.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #47CC(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=C1O4655.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #48CC(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=C1O4667.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #49CC(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)C4715.0Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #5CC(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]1O4654.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #50CC(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=C1O4683.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #51CC(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)C4710.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #52CC(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)C4730.9Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #53CC(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=C1O4663.1Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #54CC(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=C1O4677.4Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #55CC(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=C1O4694.0Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #56CC(C)(C)[Si](C)(C)O[C@@H]1[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](CO)[C@H]1O[Si](C)(C)C(C)(C)C4726.5Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #6CC(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)C4677.2Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #7CC(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]1O4709.2Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #8CC(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]1O4698.2Semi standard non polar33892256
Cyanidin 3-glucoside,3TBDMS,isomer #9CC(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]1O4696.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-glucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-001r-9613500000-4ecd805029dccd975fed2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-glucoside GC-MS (3 TMS) - 70eV, Positivesplash10-0002-6620019000-8d5ae8efad054c2ab4aa2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-glucoside GC-MS (TMS_3_50) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-glucoside GC-MS (TMS_4_64) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-glucoside GC-MS (TMS_4_66) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-glucoside GC-MS (TMS_5_55) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-glucoside GC-MS ("Cyanidin 3-glucoside,3TMS,#50" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyanidin 3-glucoside LC-ESI-QTOF , negative-QTOFsplash10-0012-0190300000-fa49c39b10bc818caf382017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyanidin 3-glucoside LC-ESI-QTOF , negative-QTOFsplash10-0170-0982400000-bf6abe51e9ef29f65fe02017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyanidin 3-glucoside LC-ESI-QTOF , negative-QTOFsplash10-001r-0190000000-1d3575fd8a5bad57646c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyanidin 3-glucoside LC-ESI-QTOF , negative-QTOFsplash10-014i-0940000000-688e280b84a3b096281c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyanidin 3-glucoside LC-ESI-QTOF , negative-QTOFsplash10-001s-0090200000-abde441c456e0554b97b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyanidin 3-glucoside LC-ESI-QTOF , positive-QTOFsplash10-000i-0090100000-d8c555166d10dec1fb482017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyanidin 3-glucoside LC-ESI-QTOF , positive-QTOFsplash10-000i-0090000000-0ee5168148d1f43f98b92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyanidin 3-glucoside LC-ESI-QTOF , positive-QTOFsplash10-000i-0090100000-1dc5f0ee658f46d936df2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyanidin 3-glucoside LC-ESI-QFT 31V, positive-QTOFsplash10-000i-0090000000-62b9d786642d936137722020-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cyanidin 3-glucoside LC-ESI-IT 31V, positive-QTOFsplash10-000i-0090000000-503a1596bd2451e838d72020-07-24HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-glucoside 10V, Positive-QTOFsplash10-000i-0090200000-d45f62202546a09960c42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-glucoside 20V, Positive-QTOFsplash10-052r-0190000000-86b08922db000308f1b52017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-glucoside 40V, Positive-QTOFsplash10-00dr-0890000000-f54a34d80fd4bb859a262017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-glucoside 10V, Positive-QTOFsplash10-000j-0061900000-b3d22fc8233274bb4ac22021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-glucoside 20V, Positive-QTOFsplash10-000i-0091200000-218723bb02667d2114f52021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-glucoside 40V, Positive-QTOFsplash10-009i-2091100000-e8b2df5780fffa75ac4a2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleNormal details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 9 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleNormal details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 9 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 9 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 9 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 9 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 9 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 9 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 9 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 9 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 9 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 9 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound ID9
FooDB IDFDB002603
KNApSAcK IDC00053092
Chemspider ID390284
KEGG Compound IDC08604
BioCyc IDCPD1F-766
BiGG IDNot Available
Wikipedia LinkChrysanthemin
METLIN IDNot Available
PubChem Compound4481259
PDB IDNot Available
ChEBI ID28426
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Djoumbou-Feunang Y, Fiamoncini J, Gil-de-la-Fuente A, Greiner R, Manach C, Wishart DS: BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification. J Cheminform. 2019 Jan 5;11(1):2. doi: 10.1186/s13321-018-0324-5. [PubMed:30612223 ]
  2. Galvano F, La Fauci L, Lazzarino G, Fogliano V, Ritieni A, Ciappellano S, Battistini NC, Tavazzi B, Galvano G: Cyanidins: metabolism and biological properties. J Nutr Biochem. 2004 Jan;15(1):2-11. doi: 10.1016/j.jnutbio.2003.07.004. [PubMed:14711454 ]
  3. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  4. Djoumbou Feunang, Yannick (2017). Cheminformatics Tools for Enabling Metabolomics, 2017 (PhD thesis). University of Alberta.

Enzymes

Enzyme Details
1. Catechol O-methyltransferase
General function:
Involved in magnesium ion binding
Specific function:
Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
Gene Name:
COMT
Uniprot ID:
P21964
Molecular weight:
30036.77
Reactions
Cyanidin 3-glucoside → 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-yliumdetails
Enzyme Details
2. UDP-glucuronosyltransferase 1-1
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
Cyanidin 3-glucoside → 2-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxyphenyl}-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-yliumdetails
Cyanidin 3-glucoside → 2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-hydroxyphenyl}-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-yliumdetails
Cyanidin 3-glucoside → 5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-yliumdetails
Cyanidin 3-glucoside → (6-carboxy-3,4,5-trihydroxyoxan-2-yl)[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7H-chromen-7-ylidene]oxidaniumdetails