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Showing metabocard for Cyanidin 3-xyloside (HMDB0037984)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:15:29 UTC
Update Date2022-03-07 02:55:35 UTC
HMDB IDHMDB0037984
Secondary Accession Numbers
  • HMDB37984
Metabolite Identification
Common NameCyanidin 3-xyloside
DescriptionCyanidin 3-xyloside 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. Cyanidin 3-xyloside is found, on average, in the highest concentration within a few different foods, such as black chokeberries (Photinia melanocarpa), rubus (blackberry, raspberry), and apples (Malus pumila). Cyanidin 3-xyloside has also been detected, but not quantified in, several different foods, such as american cranberries (Vaccinium macrocarpon), sunflowers (Helianthus annuus), gooseberries (Ribes uva-crispa), common grapes (Vitis vinifera), and black elderberries (Sambucus nigra). This could make cyanidin 3-xyloside a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Cyanidin 3-xyloside.
Structure
Data?1563863120
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0037984 (Cyanidin 3-xyloside)

Cyanidin 3-0-xyloside
  Mrv1652309231718062D          

 34 37  0  0  1  0            999 V2000
   -1.3910   -4.4795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -3.7445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5315   -4.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671   -5.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7615   -2.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1640   -2.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -2.9599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6797   -3.5433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8809   -2.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -3.7445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3565   -3.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3264   -4.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  6  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 21 28  1  0  0  0  0
  6 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  1  0  0  0
 29 32  1  0  0  0  0
  2 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  1  0  0  0
M  CHG  1  19   1
M  END
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3D MOL for HMDB0037984 (Cyanidin 3-xyloside)

HMDB0037984
     RDKit          3D
Cyanidin 3-xyloside
 49 52  0  0  0  0  0  0  0  0999 V2000
    5.9457   -0.2491   -2.5184 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6742   -0.8385   -2.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436    0.0330   -1.7649 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4514   -0.4445   -1.7489 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306    0.1216   -0.5717 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6659   -0.3298   -0.2742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558    0.3970   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4497    1.7973   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5777    2.5430    0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5301    3.9281    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3959    4.6510   -0.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6951    4.6731    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8434    4.0008    0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0203    4.7065    0.7460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8779    2.6217    0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7412    1.8620    0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7368    0.5711    0.4311 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6621   -0.1990    0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8694   -1.6293    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185   -2.5927    0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1990   -3.9591    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4658   -4.3784    0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6630   -5.7601    0.6990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -3.4463    0.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335   -3.8769    1.0683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1468   -2.1072    0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877   -0.3907    0.4224 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8897    0.2281    1.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517    0.0142   -0.3406 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2815   -0.8829   -0.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8793    0.7296   -2.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3585   -0.9649   -3.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7746   -1.8261   -2.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7581    1.0599   -2.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.1906   -0.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4627    2.2819   -0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4734    4.2171   -0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6637    5.7517    0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0225    5.7161    0.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7852    2.0633    0.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0817   -2.3297   -0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -4.6844    0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5364   -6.1899    0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9933   -4.8338    1.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9638   -1.4232    0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -1.4904    0.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110   -0.4682    2.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    1.0686   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4537   -0.9325    0.8212 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  3  1  0
 18  7  1  0
 26 19  1  0
 16  9  1  0
  1 31  1  0
  2 32  1  0
  2 33  1  0
  3 34  1  6
  5 35  1  6
  8 36  1  0
 11 37  1  0
 12 38  1  0
 14 39  1  0
 15 40  1  0
 20 41  1  0
 21 42  1  0
 23 43  1  0
 25 44  1  0
 26 45  1  0
 27 46  1  1
 28 47  1  0
 29 48  1  1
 30 49  1  0
M  CHG  1  17   1
M  END
Download

3D SDF for HMDB0037984 (Cyanidin 3-xyloside)

Cyanidin 3-0-xyloside
  Mrv1652309231718062D          

 34 37  0  0  1  0            999 V2000
   -1.3910   -4.4795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -3.7445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5315   -4.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671   -5.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7615   -2.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1640   -2.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -2.9599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6797   -3.5433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8809   -2.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -3.7445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3565   -3.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3264   -4.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  6  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 21 28  1  0  0  0  0
  6 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  1  0  0  0
 29 32  1  0  0  0  0
  2 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  1  0  0  0
M  CHG  1  19   1
M  END
> <DATABASE_ID>
HMDB0037984

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17+,18-,20-/m1/s1

> <INCHI_KEY>
SBBFXSBQYRSIPP-AJYBTWMASA-O

> <FORMULA>
C20H19O10

> <MOLECULAR_WEIGHT>
419.3589

> <EXACT_MASS>
419.097821828

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
40.61795570251487

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
1.45

> <JCHEM_LOGP>
1.0594999999999994

> <ALOGPS_LOGS>
-3.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.457962066012986

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.3883297101765875

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9811524252368704

> <JCHEM_POLAR_SURFACE_AREA>
173.20999999999998

> <JCHEM_REFRACTIVITY>
110.29499999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.06e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0037984 (Cyanidin 3-xyloside)

HMDB0037984
     RDKit          3D
Cyanidin 3-xyloside
 49 52  0  0  0  0  0  0  0  0999 V2000
    5.9457   -0.2491   -2.5184 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6742   -0.8385   -2.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436    0.0330   -1.7649 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4514   -0.4445   -1.7489 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306    0.1216   -0.5717 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6659   -0.3298   -0.2742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558    0.3970   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4497    1.7973   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5777    2.5430    0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5301    3.9281    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3959    4.6510   -0.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6951    4.6731    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8434    4.0008    0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0203    4.7065    0.7460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8779    2.6217    0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7412    1.8620    0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7368    0.5711    0.4311 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6621   -0.1990    0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8694   -1.6293    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185   -2.5927    0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1990   -3.9591    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4658   -4.3784    0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6630   -5.7601    0.6990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -3.4463    0.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335   -3.8769    1.0683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1468   -2.1072    0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877   -0.3907    0.4224 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8897    0.2281    1.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517    0.0142   -0.3406 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2815   -0.8829   -0.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8793    0.7296   -2.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3585   -0.9649   -3.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7746   -1.8261   -2.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7581    1.0599   -2.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.1906   -0.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4627    2.2819   -0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4734    4.2171   -0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6637    5.7517    0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0225    5.7161    0.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7852    2.0633    0.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0817   -2.3297   -0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -4.6844    0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5364   -6.1899    0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9933   -4.8338    1.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9638   -1.4232    0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -1.4904    0.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110   -0.4682    2.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    1.0686   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4537   -0.9325    0.8212 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  3  1  0
 18  7  1  0
 26 19  1  0
 16  9  1  0
  1 31  1  0
  2 32  1  0
  2 33  1  0
  3 34  1  6
  5 35  1  6
  8 36  1  0
 11 37  1  0
 12 38  1  0
 14 39  1  0
 15 40  1  0
 20 41  1  0
 21 42  1  0
 23 43  1  0
 25 44  1  0
 26 45  1  0
 27 46  1  1
 28 47  1  0
 29 48  1  1
 30 49  1  0
M  CHG  1  17   1
M  END
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PDB for HMDB0037984 (Cyanidin 3-xyloside)

HEADER    PROTEIN                                 23-SEP-17   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Cyanidin 3-0-xyloside                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-SEP-17         0                                  
HETATM    1  H   UNK     0      -2.597  -8.362   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      -1.897  -6.990   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.992  -8.236   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.619  -9.643   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      -1.421  -5.525   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    7  H   UNK     0      -4.039  -3.921   0.000  0.00  0.00           H+0
HETATM    8  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+1
HETATM   20  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -6.668   2.310   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.913  -5.525   0.000  0.00  0.00           C+0
HETATM   30  H   UNK     0      -5.002  -6.614   0.000  0.00  0.00           H+0
HETATM   31  O   UNK     0      -5.378  -5.049   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -3.437  -6.990   0.000  0.00  0.00           C+0
HETATM   33  H   UNK     0      -2.532  -5.744   0.000  0.00  0.00           H+0
HETATM   34  O   UNK     0      -4.343  -8.236   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    5   32                                             
CONECT    3    2    4                                                       
CONECT    4    3                                                            
CONECT    5    2    6                                                       
CONECT    6    5    7    8   29                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   17                                                  
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   11   18                                                  
CONECT   18   17                                                            
CONECT   19   12   20                                                       
CONECT   20   19    9   21                                                  
CONECT   21   20   22   28                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   21                                                       
CONECT   29    6   30   31   32                                             
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   29    2   33   34                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END
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3D PDB for HMDB0037984 (Cyanidin 3-xyloside)

COMPND    HMDB0037984
HETATM    1  O1  UNL     1       5.946  -0.249  -2.518  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.674  -0.838  -2.582  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.744   0.033  -1.765  1.00  0.00           C  
HETATM    4  O2  UNL     1       2.451  -0.445  -1.749  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.931   0.122  -0.572  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.666  -0.330  -0.274  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.456   0.397  -0.061  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.450   1.797  -0.125  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.578   2.543   0.089  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.530   3.928   0.016  1.00  0.00           C  
HETATM   11  O4  UNL     1      -0.396   4.651  -0.265  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.695   4.673   0.238  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.843   4.001   0.520  1.00  0.00           C  
HETATM   14  O5  UNL     1      -5.020   4.707   0.746  1.00  0.00           O  
HETATM   15  C10 UNL     1      -3.878   2.622   0.589  1.00  0.00           C  
HETATM   16  C11 UNL     1      -2.741   1.862   0.374  1.00  0.00           C  
HETATM   17  O6  UNL     1      -2.737   0.571   0.431  1.00  0.00           O1+
HETATM   18  C12 UNL     1      -1.662  -0.199   0.230  1.00  0.00           C  
HETATM   19  C13 UNL     1      -1.869  -1.629   0.340  1.00  0.00           C  
HETATM   20  C14 UNL     1      -0.919  -2.593   0.175  1.00  0.00           C  
HETATM   21  C15 UNL     1      -1.199  -3.959   0.297  1.00  0.00           C  
HETATM   22  C16 UNL     1      -2.466  -4.378   0.594  1.00  0.00           C  
HETATM   23  O7  UNL     1      -2.663  -5.760   0.699  1.00  0.00           O  
HETATM   24  C17 UNL     1      -3.446  -3.446   0.767  1.00  0.00           C  
HETATM   25  O8  UNL     1      -4.733  -3.877   1.068  1.00  0.00           O  
HETATM   26  C18 UNL     1      -3.147  -2.107   0.641  1.00  0.00           C  
HETATM   27  C19 UNL     1       2.988  -0.391   0.422  1.00  0.00           C  
HETATM   28  O9  UNL     1       2.890   0.228   1.641  1.00  0.00           O  
HETATM   29  C20 UNL     1       4.252   0.014  -0.341  1.00  0.00           C  
HETATM   30  O10 UNL     1       5.282  -0.883  -0.152  1.00  0.00           O  
HETATM   31  H1  UNL     1       5.879   0.730  -2.355  1.00  0.00           H  
HETATM   32  H2  UNL     1       4.359  -0.965  -3.619  1.00  0.00           H  
HETATM   33  H3  UNL     1       4.775  -1.826  -2.044  1.00  0.00           H  
HETATM   34  H4  UNL     1       3.758   1.060  -2.203  1.00  0.00           H  
HETATM   35  H5  UNL     1       2.100   1.191  -0.657  1.00  0.00           H  
HETATM   36  H6  UNL     1       0.463   2.282  -0.347  1.00  0.00           H  
HETATM   37  H7  UNL     1       0.473   4.217  -0.436  1.00  0.00           H  
HETATM   38  H8  UNL     1      -2.664   5.752   0.183  1.00  0.00           H  
HETATM   39  H9  UNL     1      -5.022   5.716   0.701  1.00  0.00           H  
HETATM   40  H10 UNL     1      -4.785   2.063   0.813  1.00  0.00           H  
HETATM   41  H11 UNL     1       0.082  -2.330  -0.056  1.00  0.00           H  
HETATM   42  H12 UNL     1      -0.405  -4.684   0.156  1.00  0.00           H  
HETATM   43  H13 UNL     1      -3.536  -6.190   0.910  1.00  0.00           H  
HETATM   44  H14 UNL     1      -4.993  -4.834   1.168  1.00  0.00           H  
HETATM   45  H15 UNL     1      -3.964  -1.423   0.790  1.00  0.00           H  
HETATM   46  H16 UNL     1       2.987  -1.490   0.456  1.00  0.00           H  
HETATM   47  H17 UNL     1       3.111  -0.468   2.339  1.00  0.00           H  
HETATM   48  H18 UNL     1       4.536   1.069  -0.073  1.00  0.00           H  
HETATM   49  H19 UNL     1       5.454  -0.932   0.821  1.00  0.00           H  
CONECT    1    2   31
CONECT    2    3   32   33
CONECT    3    4   29   34
CONECT    4    5
CONECT    5    6   27   35
CONECT    6    7
CONECT    7    8    8   18
CONECT    8    9   36
CONECT    9   10   10   16
CONECT   10   11   12
CONECT   11   37
CONECT   12   13   13   38
CONECT   13   14   15
CONECT   14   39
CONECT   15   16   16   40
CONECT   16   17
CONECT   17   18   18
CONECT   18   19
CONECT   19   20   20   26
CONECT   20   21   41
CONECT   21   22   22   42
CONECT   22   23   24
CONECT   23   43
CONECT   24   25   26   26
CONECT   25   44
CONECT   26   45
CONECT   27   28   29   46
CONECT   28   47
CONECT   29   30   48
CONECT   30   49
END
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SMILES for HMDB0037984 (Cyanidin 3-xyloside)

[H][C@]1(CO)O[C@@]([H])(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]1([H])O
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INCHI for HMDB0037984 (Cyanidin 3-xyloside)

InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17+,18-,20-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Cyanidin 3-O-xylosideHMDB
Chemical FormulaC20H19O10
Average Molecular Weight419.3589
Monoisotopic Molecular Weight419.097821828
IUPAC Name3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium
Traditional Name3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium
CAS Registry Number29761-24-8
SMILES
[H][C@]1(CO)O[C@@]([H])(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]1([H])O
InChI Identifier
InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17+,18-,20-/m1/s1
InChI KeySBBFXSBQYRSIPP-AJYBTWMASA-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
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • Hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • Anthocyanidin
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • Pentose monosaccharide
  • 1-benzopyran
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Monosaccharide
  • Benzenoid
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Secondary alcohol
  • Oxacycle
  • Acetal
  • Organoheterocyclic compound
  • Organooxygen compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Alcohol
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.41 g/LALOGPS
logP1.45ALOGPS
logP1.06ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)6.39ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area173.21 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity110.3 m³·mol⁻¹ChemAxon
Polarizability40.62 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+195.21131661259
DarkChem[M-H]-187.96431661259
DeepCCS[M+H]+186.03430932474
DeepCCS[M-H]-183.63830932474
DeepCCS[M-2H]-216.79330932474
DeepCCS[M+Na]+191.86830932474
AllCCS[M+H]+196.132859911
AllCCS[M+H-H2O]+193.532859911
AllCCS[M+NH4]+198.532859911
AllCCS[M+Na]+199.232859911
AllCCS[M-H]-195.332859911
AllCCS[M+Na-2H]-195.432859911
AllCCS[M+HCOO]-195.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cyanidin 3-xyloside[H][C@]1(CO)O[C@@]([H])(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]1([H])O6226.1Standard polar33892256
Cyanidin 3-xyloside[H][C@]1(CO)O[C@@]([H])(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]1([H])O4213.2Standard non polar33892256
Cyanidin 3-xyloside[H][C@]1(CO)O[C@@]([H])(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]1([H])O4174.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cyanidin 3-xyloside,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]1O4044.2Semi standard non polar33892256
Cyanidin 3-xyloside,1TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14057.2Semi standard non polar33892256
Cyanidin 3-xyloside,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]3O)C=C124012.2Semi standard non polar33892256
Cyanidin 3-xyloside,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]2O)=CC=C1O4008.3Semi standard non polar33892256
Cyanidin 3-xyloside,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]2O)C=C1O4000.8Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4089.7Semi standard non polar33892256
Cyanidin 3-xyloside,1TMS,isomer #7C[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]1O4088.4Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3913.6Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C13871.0Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C13885.3Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #12C[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]2O)C=C1O3885.9Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #13C[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]2O)=CC=C1O3891.0Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #14C[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]3O)C=C123920.1Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #15C[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]3O[Si](C)(C)C)C=C123931.5Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #16C[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]2O)=CC=C1O3915.0Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #17C[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]2O[Si](C)(C)C)=CC=C1O3933.1Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #18C[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]2O)C=C1O[Si](C)(C)C3895.4Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #19C[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]2O)C=C1O3904.5Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3922.0Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #20C[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]2O[Si](C)(C)C)C=C1O3923.9Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #21C[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]1O[Si](C)(C)C4009.2Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3913.1Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3919.8Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4004.1Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O[Si](C)(C)C4004.0Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #7C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C13848.9Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C13926.8Semi standard non polar33892256
Cyanidin 3-xyloside,2TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C13941.6Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3770.0Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #10C[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]1O3837.4Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #11C[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]1O3845.5Semi standard non polar33892256
Cyanidin 3-xyloside,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)=C2)[C@H](O)[C@H]1O[Si](C)(C)C3850.0Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H]1O3840.5Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H]1O[Si](C)(C)C3844.4Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3910.5Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #16C[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]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C13764.2Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #17C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C13777.5Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #18C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C13779.3Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #19C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C13791.9Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3753.1Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #20C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C13867.9Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #21C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C13748.7Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #22C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C13756.5Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #23C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C13760.8Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #24C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C13770.5Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C13775.1Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #26C[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]2O)C=C1O3748.8Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #27C[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]2O[Si](C)(C)C)C=C1O3766.8Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,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)[C@H]2O)C=C1O[Si](C)(C)C3772.3Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #29C[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]2O)=CC=C1O3754.2Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3757.7Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #30C[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]2O[Si](C)(C)C)=CC=C1O3771.7Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #31C[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]3O[Si](C)(C)C)C=C123864.1Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #32C[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]2O[Si](C)(C)C)=CC=C1O3860.6Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #33C[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]2O)C=C1O[Si](C)(C)C3835.5Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #34C[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]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3844.3Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #35C[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]2O[Si](C)(C)C)C=C1O3859.2Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3849.3Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O[Si](C)(C)C3856.0Semi standard non polar33892256
Cyanidin 3-xyloside,3TMS,isomer #6C[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]1O3749.2Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H]1O3755.4Semi standard non polar33892256
Cyanidin 3-xyloside,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)=C2)[C@H](O[Si](C)(C)C)[C@H]1O3846.8Semi standard non polar33892256
Cyanidin 3-xyloside,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)[C@H]1O[Si](C)(C)C3857.2Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3723.9Semi standard non polar33892256
Cyanidin 3-xyloside,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)=C2)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3799.6Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H]1O3736.1Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,isomer #12C[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]1O3699.7Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,isomer #13C[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]1O[Si](C)(C)C3698.6Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,isomer #14C[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]1O3696.6Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,isomer #15C[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]1O[Si](C)(C)C3696.5Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3808.0Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H]1O3787.7Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H]1O[Si](C)(C)C3784.3Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3783.5Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3729.7Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3775.0Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,isomer #21C[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]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C13730.3Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C13745.5Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C13753.9Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C13742.0Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C13749.1Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C13756.1Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C13717.5Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C13716.7Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C13731.8Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3722.4Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,isomer #30C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[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=C13731.0Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,isomer #31C[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]2O[Si](C)(C)C)C=C1O3705.3Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,isomer #32C[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]2O)C=C1O[Si](C)(C)C3718.0Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,isomer #33C[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]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3719.0Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,isomer #34C[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]2O[Si](C)(C)C)=CC=C1O3705.8Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,isomer #35C[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]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3805.0Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O[Si](C)(C)C3719.1Semi standard non polar33892256
Cyanidin 3-xyloside,4TMS,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[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H]1O3723.9Semi standard non polar33892256
Cyanidin 3-xyloside,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)=C2)[C@H](O[Si](C)(C)C)[C@H]1O3690.0Semi standard non polar33892256
Cyanidin 3-xyloside,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)[C@H]1O[Si](C)(C)C3683.5Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H]1O3688.0Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H]1O[Si](C)(C)C3681.8Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3738.7Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,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]1O[Si](C)(C)C3656.9Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,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[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H]1O3717.9Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,isomer #12C[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]1O[Si](C)(C)C3721.7Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,isomer #13C[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]1O[Si](C)(C)C3682.5Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,isomer #14C[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]1O[Si](C)(C)C3671.9Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,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[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3754.7Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,isomer #16C[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]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C13742.7Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,isomer #17C[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]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C13745.1Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,isomer #18C[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]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C13752.8Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,isomer #19C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@H](CO)[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=C13750.6Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3717.9Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,isomer #20C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[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=C13736.3Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,isomer #21C[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]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3719.3Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O[Si](C)(C)C3725.9Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H]1O3719.1Semi standard non polar33892256
Cyanidin 3-xyloside,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)[C@H]1O[Si](C)(C)C3728.9Semi standard non polar33892256
Cyanidin 3-xyloside,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)=C2)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3680.1Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,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[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H]1O3700.0Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,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[Si](C)(C)C)=C2)[C@H](O)[C@H]1O[Si](C)(C)C3699.5Semi standard non polar33892256
Cyanidin 3-xyloside,5TMS,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[Si](C)(C)C)[C@H]1O[Si](C)(C)C3664.4Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O3728.0Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O[Si](C)(C)C3729.7Semi standard non polar33892256
Cyanidin 3-xyloside,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)=C2)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3696.9Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3701.5Semi standard non polar33892256
Cyanidin 3-xyloside,6TMS,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[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3690.2Semi standard non polar33892256
Cyanidin 3-xyloside,6TMS,isomer #6C[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]1O[Si](C)(C)C3707.0Semi standard non polar33892256
Cyanidin 3-xyloside,6TMS,isomer #7C[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]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C13750.2Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4333.7Semi standard non polar33892256
Cyanidin 3-xyloside,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]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14328.0Semi standard non polar33892256
Cyanidin 3-xyloside,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]3O)C=C124310.8Semi standard non polar33892256
Cyanidin 3-xyloside,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]2O)=CC=C1O4309.6Semi standard non polar33892256
Cyanidin 3-xyloside,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]2O)C=C1O4315.4Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4370.5Semi standard non polar33892256
Cyanidin 3-xyloside,1TBDMS,isomer #7CC(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]1O4370.6Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4439.8Semi standard non polar33892256
Cyanidin 3-xyloside,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]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C14424.3Semi standard non polar33892256
Cyanidin 3-xyloside,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]3O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C14419.3Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #12CC(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]2O)C=C1O4414.2Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #13CC(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]2O)=CC=C1O4406.1Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #14CC(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]3O)C=C124479.2Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #15CC(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]3O[Si](C)(C)C(C)(C)C)C=C124478.2Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #16CC(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]2O)=CC=C1O4460.6Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #17CC(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]2O[Si](C)(C)C(C)(C)C)=CC=C1O4466.9Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #18CC(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]2O)C=C1O[Si](C)(C)C(C)(C)C4418.0Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #19CC(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]2O)C=C1O4468.4Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4456.5Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #20CC(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]2O[Si](C)(C)C(C)(C)C)C=C1O4477.3Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #21CC(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]1O[Si](C)(C)C(C)(C)C4561.1Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4446.6Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4439.1Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4526.6Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O[Si](C)(C)C(C)(C)C4523.9Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #7CC(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]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14399.0Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #8CC(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]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14491.0Semi standard non polar33892256
Cyanidin 3-xyloside,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14490.4Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4496.8Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #10CC(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]1O4546.8Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #11CC(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]1O4568.1Semi standard non polar33892256
Cyanidin 3-xyloside,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)=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4565.7Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4548.5Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4545.5Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4635.1Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #16CC(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]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14533.7Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #17CC(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]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14535.0Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #18CC(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]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C14569.3Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #19CC(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]3O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C14546.1Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4518.9Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #20CC(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]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14607.8Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #21CC(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]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C14569.9Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #22CC(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]3O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C14557.9Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[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=C14570.2Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[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=C14556.6Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[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=C14524.1Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #26CC(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]2O)C=C1O4548.0Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #27CC(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]2O[Si](C)(C)C(C)(C)C)C=C1O4554.4Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #28CC(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]2O)C=C1O[Si](C)(C)C(C)(C)C4508.3Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #29CC(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]2O)=CC=C1O4534.1Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4502.4Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #30CC(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]2O[Si](C)(C)C(C)(C)C)=CC=C1O4536.6Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #31CC(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]3O[Si](C)(C)C(C)(C)C)C=C124597.2Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #32CC(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]2O[Si](C)(C)C(C)(C)C)=CC=C1O4583.0Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #33CC(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]2O)C=C1O[Si](C)(C)C(C)(C)C4573.3Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #34CC(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]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4572.6Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #35CC(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]2O[Si](C)(C)C(C)(C)C)C=C1O4599.0Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O4556.7Semi standard non polar33892256
Cyanidin 3-xyloside,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]1O[Si](C)(C)C(C)(C)C4559.5Semi standard non polar33892256
Cyanidin 3-xyloside,3TBDMS,isomer #6CC(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]1O4535.7Semi standard non polar33892256
Cyanidin 3-xyloside,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)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H]1O4524.0Semi standard non polar33892256
Cyanidin 3-xyloside,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)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4573.8Semi standard non polar33892256
Cyanidin 3-xyloside,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)[C@H]1O[Si](C)(C)C(C)(C)C4577.1Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H]1O4693.2Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #10CC(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]1O[Si](C)(C)C(C)(C)C4646.9Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H]1O4645.9Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #12CC(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[Si](C)(C)C(C)(C)C)[C@H]1O4668.5Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #13CC(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]1O[Si](C)(C)C(C)(C)C4660.6Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #14CC(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[Si](C)(C)C(C)(C)C)[C@H]1O4647.2Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #15CC(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]1O[Si](C)(C)C(C)(C)C4638.4Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #16CC(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]1O[Si](C)(C)C(C)(C)C4668.4Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4649.5Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4641.7Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4652.2Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[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]1O4667.7Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4628.7Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #21CC(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]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14622.3Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C14734.3Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[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=C14710.4Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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]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=C14727.5Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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]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=C14700.8Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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]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=C14686.8Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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]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=C14673.8Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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]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=C14655.8Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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]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=C14666.3Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[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]1O4612.3Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@H](CO)[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[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C14660.7Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #31CC(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]2O[Si](C)(C)C(C)(C)C)C=C1O4650.8Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #32CC(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]2O)C=C1O[Si](C)(C)C(C)(C)C4641.0Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #33CC(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]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4640.4Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #34CC(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]2O[Si](C)(C)C(C)(C)C)=CC=C1O4631.9Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #35CC(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]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4658.4Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4609.3Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H]1O4626.8Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,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[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4646.2Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #7CC(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]1O[Si](C)(C)C(C)(C)C4636.3Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #8CC(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[Si](C)(C)C(C)(C)C)[C@H]1O4623.1Semi standard non polar33892256
Cyanidin 3-xyloside,4TBDMS,isomer #9CC(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]1O[Si](C)(C)C(C)(C)C4612.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-xyloside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-9103100000-dc4b089066163937bbb52017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-xyloside GC-MS (3 TMS) - 70eV, Positivesplash10-01di-6910228000-6f3638e0ac882407d6802017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-xyloside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-xyloside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-xyloside 10V, Positive-QTOFsplash10-000i-0090200000-6a8bdbf6e9a21f8aa9992017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-xyloside 20V, Positive-QTOFsplash10-052r-0190000000-fd45b61ff1366c4847a42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-xyloside 40V, Positive-QTOFsplash10-00di-1890000000-f2fbab6d16b8f592f9002017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-xyloside 10V, Positive-QTOFsplash10-0f79-0091800000-3f58e4084ab530969d592021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-xyloside 20V, Positive-QTOFsplash10-000i-0296400000-324bfcd255eedb7bb7042021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-xyloside 40V, Positive-QTOFsplash10-0550-2190000000-919d228ff28211c1f7a02021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 53 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound ID53
FooDB IDFDB017173
KNApSAcK IDC00006651
Chemspider ID30777223
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound87948385
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .