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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:15:51 UTC

Update Date

2022-03-07 02:55:35 UTC

HMDB ID

HMDB0037989

Secondary Accession Numbers

HMDB37989

Metabolite Identification

Common Name

Cyanidin 7-arabinoside

Description

Cyanidin 7-arabinoside belongs to the class of organic compounds known as 5-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-5 position of the flavonoid skeleton. Cyanidin 7-arabinoside has been detected, but not quantified in, malus (crab apple) and pomes. This could make cyanidin 7-arabinoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Cyanidin 7-arabinoside.

Structure

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

  Mrv0541 05061310082D          

 30 33  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
    2.8579    0.0000    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
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    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
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  8  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  2  1  0  0  0  0
 12  4  2  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 13 11  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16  5  2  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19  8  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28  7  1  0  0  0  0
 28 20  1  0  0  0  0
 29  9  2  0  0  0  0
 29 20  1  0  0  0  0
 30 16  1  0  0  0  0
 30 19  1  0  0  0  0
M  CHG  1  29   1
M  END

HMDB0037989
     RDKit          3D
Cyanidin 7-arabinoside
 49 52  0  0  0  0  0  0  0  0999 V2000
    8.2600   -0.3670   -2.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0429   -0.2106   -1.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8854   -0.5897   -2.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066   -0.4196   -1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215    0.1120   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2861    0.2417    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445   -0.1647   -0.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0399   -0.0827    0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0640   -0.4999   -0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3463   -0.4190   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469   -0.7956   -0.8104 O   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6849   -0.7399   -0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3787   -1.6284   -1.2332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5526   -1.9791   -0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2525   -0.7131   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6412   -0.8398   -0.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7598    0.4114   -0.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5104    1.5717   -0.7905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2987    0.6259   -0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6290    1.2203   -1.6985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556    0.0848    1.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5236    0.5305    1.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840    1.0261    3.1802 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7558    0.4521    1.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234    0.8695    2.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0978    0.7476    1.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1378    1.1828    2.4239 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7987    0.4681    0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390    0.3176   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2013    0.7039    0.3470 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290   -0.1112   -1.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9106   -1.0137   -3.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7894   -0.7165   -2.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955   -0.9024   -1.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8624   -1.1379    0.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2392   -2.4128   -1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3891   -2.7005    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9149   -0.5398    0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9605   -1.7032    0.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7979    0.0338   -1.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5091    1.8422    0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2264    1.3115    0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5874    0.6089   -2.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5669    0.1458    1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1840    1.3751    3.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6951    1.2715    3.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460    1.5573    3.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8175    0.8869    1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1420    1.0881    1.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 10 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
  5 28  1  0
 28 29  2  0
 29 30  1  0
 29  2  1  0
 26  6  2  0
 24  8  1  0
 19 12  1  0
  1 31  1  0
  3 32  1  0
  4 33  1  0
  9 34  1  0
 12 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 23 45  1  0
 25 46  1  0
 27 47  1  0
 28 48  1  0
 30 49  1  0
M  CHG  1  11   1
M  END

  Mrv0541 05061310082D          

 30 33  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
    2.8579    0.0000    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
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    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
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  8  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  2  1  0  0  0  0
 12  4  2  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 13 11  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16  5  2  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19  8  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28  7  1  0  0  0  0
 28 20  1  0  0  0  0
 29  9  2  0  0  0  0
 29 20  1  0  0  0  0
 30 16  1  0  0  0  0
 30 19  1  0  0  0  0
M  CHG  1  29   1
M  END
> <DATABASE_ID>
HMDB0037989

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1COC(\[O+]=C2/C=C(O)C3=CC(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O

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

> <INCHI_KEY>
ITSUAAYFFATPLH-UHFFFAOYSA-O

> <FORMULA>
C20H19O10

> <MOLECULAR_WEIGHT>
419.3589

> <EXACT_MASS>
419.097821828

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
41.2437156166946

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(7E)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7H-chromen-7-ylidene](3,4,5-trihydroxyoxan-2-yl)oxidanium

> <ALOGPS_LOGP>
0.86

> <JCHEM_LOGP>
-2.841899999999999

> <ALOGPS_LOGS>
-2.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.308689858258185

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.038401755133787

> <JCHEM_PKA_STRONGEST_BASIC>
-3.527475536051015

> <JCHEM_POLAR_SURFACE_AREA>
194.21

> <JCHEM_REFRACTIVITY>
117.93639999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.61e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(7E)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-7-ylidene](3,4,5-trihydroxyoxan-2-yl)oxidanium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037989
     RDKit          3D
Cyanidin 7-arabinoside
 49 52  0  0  0  0  0  0  0  0999 V2000
    8.2600   -0.3670   -2.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0429   -0.2106   -1.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8854   -0.5897   -2.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066   -0.4196   -1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215    0.1120   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2861    0.2417    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445   -0.1647   -0.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0399   -0.0827    0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0640   -0.4999   -0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3463   -0.4190   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469   -0.7956   -0.8104 O   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6849   -0.7399   -0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3787   -1.6284   -1.2332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5526   -1.9791   -0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2525   -0.7131   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6412   -0.8398   -0.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7598    0.4114   -0.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5104    1.5717   -0.7905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2987    0.6259   -0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6290    1.2203   -1.6985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556    0.0848    1.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5236    0.5305    1.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840    1.0261    3.1802 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7558    0.4521    1.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234    0.8695    2.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0978    0.7476    1.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1378    1.1828    2.4239 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7987    0.4681    0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390    0.3176   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2013    0.7039    0.3470 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290   -0.1112   -1.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9106   -1.0137   -3.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7894   -0.7165   -2.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955   -0.9024   -1.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8624   -1.1379    0.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2392   -2.4128   -1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3891   -2.7005    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9149   -0.5398    0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9605   -1.7032    0.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7979    0.0338   -1.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5091    1.8422    0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2264    1.3115    0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5874    0.6089   -2.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5669    0.1458    1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1840    1.3751    3.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6951    1.2715    3.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460    1.5573    3.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8175    0.8869    1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1420    1.0881    1.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 10 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
  5 28  1  0
 28 29  2  0
 29 30  1  0
 29  2  1  0
 26  6  2  0
 24  8  1  0
 19 12  1  0
  1 31  1  0
  3 32  1  0
  4 33  1  0
  9 34  1  0
 12 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 23 45  1  0
 25 46  1  0
 27 47  1  0
 28 48  1  0
 30 49  1  0
M  CHG  1  11   1
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -5.335   0.000   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+1
HETATM   30  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2    8                                                       
CONECT    2    1   11                                                       
CONECT    3    8   13                                                       
CONECT    4    9   12                                                       
CONECT    5    9   16                                                       
CONECT    6   10   14                                                       
CONECT    7   15   28                                                       
CONECT    8    1    3   19                                                  
CONECT    9    4    5   29                                                  
CONECT   10    6   12   16                                                  
CONECT   11    2   13   21                                                  
CONECT   12    4   10   22                                                  
CONECT   13    3   11   23                                                  
CONECT   14    6   19   24                                                  
CONECT   15    7   17   25                                                  
CONECT   16    5   10   30                                                  
CONECT   17   15   18   26                                                  
CONECT   18   17   20   27                                                  
CONECT   19    8   14   30                                                  
CONECT   20   18   28   29                                                  
CONECT   21   11                                                            
CONECT   22   12                                                            
CONECT   23   13                                                            
CONECT   24   14                                                            
CONECT   25   15                                                            
CONECT   26   17                                                            
CONECT   27   18                                                            
CONECT   28    7   20                                                       
CONECT   29    9   20                                                       
CONECT   30   16   19                                                       
MASTER        0    0    0    0    0    0    0    0   30    0   66    0
END

COMPND    HMDB0037989
HETATM    1  O1  UNL     1       8.260  -0.367  -2.223  1.00  0.00           O  
HETATM    2  C1  UNL     1       7.043  -0.211  -1.570  1.00  0.00           C  
HETATM    3  C2  UNL     1       5.885  -0.590  -2.209  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.707  -0.420  -1.533  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.621   0.112  -0.244  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.286   0.242   0.372  1.00  0.00           C  
HETATM    7  O2  UNL     1       2.244  -0.165  -0.359  1.00  0.00           O  
HETATM    8  C6  UNL     1       1.040  -0.083   0.114  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.064  -0.500  -0.629  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.346  -0.419  -0.141  1.00  0.00           C  
HETATM   11  O3  UNL     1      -2.347  -0.796  -0.810  1.00  0.00           O1+
HETATM   12  C9  UNL     1      -3.685  -0.740  -0.370  1.00  0.00           C  
HETATM   13  O4  UNL     1      -4.379  -1.628  -1.233  1.00  0.00           O  
HETATM   14  C10 UNL     1      -5.553  -1.979  -0.570  1.00  0.00           C  
HETATM   15  C11 UNL     1      -6.252  -0.713  -0.060  1.00  0.00           C  
HETATM   16  O5  UNL     1      -7.641  -0.840  -0.152  1.00  0.00           O  
HETATM   17  C12 UNL     1      -5.760   0.411  -0.953  1.00  0.00           C  
HETATM   18  O6  UNL     1      -6.510   1.572  -0.790  1.00  0.00           O  
HETATM   19  C13 UNL     1      -4.299   0.626  -0.617  1.00  0.00           C  
HETATM   20  O7  UNL     1      -3.629   1.220  -1.698  1.00  0.00           O  
HETATM   21  C14 UNL     1      -1.556   0.085   1.110  1.00  0.00           C  
HETATM   22  C15 UNL     1      -0.524   0.530   1.937  1.00  0.00           C  
HETATM   23  O8  UNL     1      -0.784   1.026   3.180  1.00  0.00           O  
HETATM   24  C16 UNL     1       0.756   0.452   1.456  1.00  0.00           C  
HETATM   25  C17 UNL     1       1.823   0.870   2.207  1.00  0.00           C  
HETATM   26  C18 UNL     1       3.098   0.748   1.624  1.00  0.00           C  
HETATM   27  O9  UNL     1       4.138   1.183   2.424  1.00  0.00           O  
HETATM   28  C19 UNL     1       5.799   0.468   0.336  1.00  0.00           C  
HETATM   29  C20 UNL     1       7.039   0.318  -0.308  1.00  0.00           C  
HETATM   30  O10 UNL     1       8.201   0.704   0.347  1.00  0.00           O  
HETATM   31  H1  UNL     1       9.129  -0.111  -1.812  1.00  0.00           H  
HETATM   32  H2  UNL     1       5.911  -1.014  -3.228  1.00  0.00           H  
HETATM   33  H3  UNL     1       3.789  -0.717  -2.031  1.00  0.00           H  
HETATM   34  H4  UNL     1       0.095  -0.902  -1.626  1.00  0.00           H  
HETATM   35  H5  UNL     1      -3.862  -1.138   0.629  1.00  0.00           H  
HETATM   36  H6  UNL     1      -6.239  -2.413  -1.338  1.00  0.00           H  
HETATM   37  H7  UNL     1      -5.389  -2.701   0.251  1.00  0.00           H  
HETATM   38  H8  UNL     1      -5.915  -0.540   0.981  1.00  0.00           H  
HETATM   39  H9  UNL     1      -7.961  -1.703   0.155  1.00  0.00           H  
HETATM   40  H10 UNL     1      -5.798   0.034  -1.987  1.00  0.00           H  
HETATM   41  H11 UNL     1      -6.509   1.842   0.141  1.00  0.00           H  
HETATM   42  H12 UNL     1      -4.226   1.311   0.228  1.00  0.00           H  
HETATM   43  H13 UNL     1      -3.587   0.609  -2.476  1.00  0.00           H  
HETATM   44  H14 UNL     1      -2.567   0.146   1.488  1.00  0.00           H  
HETATM   45  H15 UNL     1      -0.184   1.375   3.876  1.00  0.00           H  
HETATM   46  H16 UNL     1       1.695   1.271   3.197  1.00  0.00           H  
HETATM   47  H17 UNL     1       4.046   1.557   3.339  1.00  0.00           H  
HETATM   48  H18 UNL     1       5.817   0.887   1.332  1.00  0.00           H  
HETATM   49  H19 UNL     1       8.142   1.088   1.278  1.00  0.00           H  
CONECT    1    2   31
CONECT    2    3    3   29
CONECT    3    4   32
CONECT    4    5    5   33
CONECT    5    6   28
CONECT    6    7   26   26
CONECT    7    8
CONECT    8    9    9   24
CONECT    9   10   34
CONECT   10   11   11   21
CONECT   11   12
CONECT   12   13   19   35
CONECT   13   14
CONECT   14   15   36   37
CONECT   15   16   17   38
CONECT   16   39
CONECT   17   18   19   40
CONECT   18   41
CONECT   19   20   42
CONECT   20   43
CONECT   21   22   22   44
CONECT   22   23   24
CONECT   23   45
CONECT   24   25   25
CONECT   25   26   46
CONECT   26   27
CONECT   27   47
CONECT   28   29   29   48
CONECT   29   30
CONECT   30   49
END

HMDB0037989
     RDKit          3D
Cyanidin 7-arabinoside
 49 52  0  0  0  0  0  0  0  0999 V2000
    8.2600   -0.3670   -2.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0429   -0.2106   -1.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8854   -0.5897   -2.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066   -0.4196   -1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215    0.1120   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2861    0.2417    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445   -0.1647   -0.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0399   -0.0827    0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0640   -0.4999   -0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3463   -0.4190   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469   -0.7956   -0.8104 O   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6849   -0.7399   -0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3787   -1.6284   -1.2332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5526   -1.9791   -0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2525   -0.7131   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6412   -0.8398   -0.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7598    0.4114   -0.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5104    1.5717   -0.7905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2987    0.6259   -0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6290    1.2203   -1.6985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556    0.0848    1.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5236    0.5305    1.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840    1.0261    3.1802 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7558    0.4521    1.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234    0.8695    2.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0978    0.7476    1.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1378    1.1828    2.4239 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7987    0.4681    0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0390    0.3176   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2013    0.7039    0.3470 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290   -0.1112   -1.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9106   -1.0137   -3.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7894   -0.7165   -2.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955   -0.9024   -1.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8624   -1.1379    0.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2392   -2.4128   -1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3891   -2.7005    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9149   -0.5398    0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9605   -1.7032    0.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7979    0.0338   -1.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5091    1.8422    0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2264    1.3115    0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5874    0.6089   -2.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5669    0.1458    1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1840    1.3751    3.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6951    1.2715    3.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460    1.5573    3.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8175    0.8869    1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1420    1.0881    1.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 10 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
  5 28  1  0
 28 29  2  0
 29 30  1  0
 29  2  1  0
 26  6  2  0
 24  8  1  0
 19 12  1  0
  1 31  1  0
  3 32  1  0
  4 33  1  0
  9 34  1  0
 12 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 23 45  1  0
 25 46  1  0
 27 47  1  0
 28 48  1  0
 30 49  1  0
M  CHG  1  11   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₀H₁₉O₁₀

Average Molecular Weight

419.3589

Monoisotopic Molecular Weight

419.097821828

IUPAC Name

[(7E)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7H-chromen-7-ylidene](3,4,5-trihydroxyoxan-2-yl)oxidanium

Traditional Name

[(7E)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-7-ylidene](3,4,5-trihydroxyoxan-2-yl)oxidanium

CAS Registry Number

28985-03-7

SMILES

OC1COC(\[O+]=C2/C=C(O)C3=CC(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O

InChI Identifier

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

InChI Key

ITSUAAYFFATPLH-UHFFFAOYSA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 5-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-5 position of the flavonoid skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Hydroxyflavonoids

Direct Parent

5-hydroxyflavonoids

Alternative Parents

Substituents

3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Benzopyran
1-benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Monosaccharide
Oxane
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Polyol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037989)
Cytoplasm (HMDB: HMDB0037989)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037989)

Source

Exogenous

Exogenous (HMDB: HMDB0037989)

Food

Food (HMDB: HMDB0037989)

Fruit

Pome

Malus (Crab apple) (FooDB: FOOD00343)
Pomes (FooDB: FOOD00856)

Endogenous

Plant

Plant (HMDB: HMDB0037989)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037989)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.46 g/L	ALOGPS
logP	0.86	ALOGPS
logP	-2.8	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	3.04	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	194.21 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	117.94 m³·mol⁻¹	ChemAxon
Polarizability	41.24 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	197.583	31661259
DarkChem	[M-H]-	193.606	31661259
DeepCCS	[M+H]+	198.729	30932474
DeepCCS	[M-H]-	196.334	30932474
DeepCCS	[M-2H]-	229.215	30932474
DeepCCS	[M+Na]+	204.642	30932474
AllCCS	[M+H]+	197.0	32859911
AllCCS	[M+H-H2O]+	194.3	32859911
AllCCS	[M+NH4]+	199.4	32859911
AllCCS	[M+Na]+	200.1	32859911
AllCCS	[M-H]-	195.0	32859911
AllCCS	[M+Na-2H]-	195.1	32859911
AllCCS	[M+HCOO]-	195.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Cyanidin 7-arabinoside	OC1COC(\[O+]=C2/C=C(O)C3=CC(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O	5717.7	Standard polar	33892256
Cyanidin 7-arabinoside	OC1COC(\[O+]=C2/C=C(O)C3=CC(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O	3963.5	Standard non polar	33892256
Cyanidin 7-arabinoside	OC1COC(\[O+]=C2/C=C(O)C3=CC(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O	4201.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Cyanidin 7-arabinoside,1TMS,isomer #1	C[Si](C)(C)OC1COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C(O)C1O	4166.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TMS,isomer #2	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4189.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TMS,isomer #3	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O)C(O)C3O)C=C(O)C2=C1	4182.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)=CC=C1O	4190.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)C=C1O	4198.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TMS,isomer #6	C[Si](C)(C)OC1C(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)OCC(O)C1O	4146.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TMS,isomer #7	C[Si](C)(C)OC1C(O)COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C1O	4142.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O)O2)C=C1O	4061.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	4072.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #11	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C=C21	4082.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #12	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O)C(O[Si](C)(C)C)C3O)C=C(O)C2=C1	4024.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #13	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O)C(O)C3O[Si](C)(C)C)C=C(O)C2=C1	4051.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)C=C1O	4093.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)=CC=C1O	4085.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O)O2)=CC=C1O	4011.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O)O2)=CC=C1O	4025.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)C=C1O[Si](C)(C)C	4052.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O)O2)C=C1O	4028.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #2	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O)O2)=CC=C1O	4042.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O)O2)C=C1O	4044.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #21	C[Si](C)(C)OC1C(O)COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C1O[Si](C)(C)C	4029.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #3	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O[Si](C)(C)C)C(O)C3O)C=C(O)C2=C1	4067.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #4	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4060.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #5	C[Si](C)(C)OC1COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C(O[Si](C)(C)C)C1O	4067.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #6	C[Si](C)(C)OC1COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C(O)C1O[Si](C)(C)C	4064.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #7	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4014.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #8	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4049.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	4100.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O)O2)C=C1O	3942.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #10	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C=C21	3946.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #11	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C(O)C2=C1	3960.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #12	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C(O)C2=C1	3964.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #13	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	3942.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #14	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	3946.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #15	C[Si](C)(C)OC1COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4007.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #16	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	3932.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	3852.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #18	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	3834.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #19	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C=C21	3898.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O)O2)C=C1O	3944.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	3893.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #21	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)=CC=C1O	3873.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #22	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C=C21	3936.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	3953.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3940.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #25	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	3950.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #26	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C(O)C2=C1	3940.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O)O2)C=C1O	3862.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #28	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O)O2)=CC=C1O	3858.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O)O2)C=C1O	3914.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	3910.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O)O2)=CC=C1O	3908.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)C=C1O[Si](C)(C)C	3978.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #32	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)=CC=C1O	3898.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O)O2)C=C1O[Si](C)(C)C	3898.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C	3931.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)C=C1O	3922.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O)O2)C=C1O	3930.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O)O2)C=C1O[Si](C)(C)C	3941.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #6	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O)O2)=CC=C1O	3921.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #7	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O)O2)=CC=C1O	3923.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #8	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	3891.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TMS,isomer #9	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O)O2)=CC=C1O	3925.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)C=C1O	3875.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O)O2)C=C1O[Si](C)(C)C	3860.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #11	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)=CC=C1O	3850.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #12	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	3764.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #13	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O)O2)=CC=C1O	3790.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #14	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)=CC=C1O	3784.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #15	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O)O2)=CC=C1O	3807.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #16	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	3839.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #17	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C=C21	3839.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #18	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C=C21	3853.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #19	C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C(O)C2=C1	3927.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	3780.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #20	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	3905.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	3786.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #22	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)=CC=C1O	3772.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #23	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C=C21	3831.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	3821.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3785.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #26	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	3817.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	3801.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3834.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #29	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)=CC=C1O	3796.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O)O2)C=C1O	3794.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3885.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)C=C1O	3789.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #32	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)=CC=C1O	3787.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O)O2)C=C1O[Si](C)(C)C	3794.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C	3855.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C	3842.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O)O2)C=C1O[Si](C)(C)C	3843.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	3804.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O)O2)C=C1O	3812.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C	3865.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	3840.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3836.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	3766.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3812.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #11	C[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)=CC=C1O	3749.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #12	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)=CC=C1O	3788.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #13	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	3789.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #14	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)=CC=C1O	3771.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #15	C[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C=C21	3821.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	3777.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3776.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #18	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)=CC=C1O	3774.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3801.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)C=C1O	3792.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3792.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C	3796.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C	3832.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	3793.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3765.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O)O2)C=C1O[Si](C)(C)C	3790.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	3776.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3791.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,5TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C	3810.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,6TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	3766.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,6TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3761.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,6TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C	3783.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,6TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3799.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,6TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3781.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,6TMS,isomer #6	C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)=CC=C1O	3768.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,6TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	3785.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C(O)C1O	4464.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4466.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O)C(O)C3O)C=C(O)C2=C1	4453.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)=CC=C1O	4483.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)C=C1O	4491.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)OCC(O)C1O	4436.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C1O	4448.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O)O2)C=C1O	4654.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	4630.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C=C21	4625.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C(O)C2=C1	4616.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C(O)C2=C1	4616.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)C=C1O	4667.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)=CC=C1O	4640.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O)O2)=CC=C1O	4597.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)=CC=C1O	4594.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)C=C1O[Si](C)(C)C(C)(C)C	4630.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O)O2)C=C1O	4628.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O)O2)=CC=C1O	4625.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)C=C1O	4621.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(O)COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C1O[Si](C)(C)C(C)(C)C	4591.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C(O)C2=C1	4645.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4623.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O	4635.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	4640.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4593.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4597.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	4665.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O)O2)C=C1O	4676.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C=C21	4672.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=C(O)C2=C1	4688.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=C(O)C2=C1	4692.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4668.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4681.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1COC(/[O+]=C2/C=C3OC(C4=CC=C(O)C(O)=C4)=C(O)C=C3C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4701.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4633.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	4701.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	4660.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C=C21	4632.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)C=C1O	4687.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	4672.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	4636.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C=C21	4645.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	4752.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C	4728.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	4720.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C(O)C2=C1	4642.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O)O2)C=C1O	4676.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O)O2)=CC=C1O	4646.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)C=C1O	4668.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	4714.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)=CC=C1O	4643.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O)O2)C=C1O[Si](C)(C)C(C)(C)C	4726.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)=CC=C1O	4615.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O)O2)C=C1O[Si](C)(C)C(C)(C)C	4646.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C(C)(C)C	4650.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)C=C1O	4643.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O)O2)C=C1O	4711.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O)O2)C=C1O[Si](C)(C)C(C)(C)C	4681.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O)O2)=CC=C1O	4647.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)=CC=C1O	4656.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	4674.1	Semi standard non polar	33892256
Cyanidin 7-arabinoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O)O2)=CC=C1O	4683.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)C=C1O	4752.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O)O2)C=C1O[Si](C)(C)C(C)(C)C	4767.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)=CC=C1O	4717.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	4744.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O)O2)=CC=C1O	4717.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	4722.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)=CC=C1O	4703.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	4790.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C=C21	4695.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C=C21	4709.8	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C/C(=[O+]/C3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C(O)C2=C1	4751.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	4786.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C=C21	4752.7	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	4756.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	4713.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=C/C(=[O+]\C2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C=C21	4678.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	4799.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C	4745.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	4766.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	4770.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C	4735.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	4736.2	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O)O2)C=C1O	4748.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C	4818.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)C=C1O	4716.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)=CC=C1O	4683.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O)O2)C=C1O[Si](C)(C)C(C)(C)C	4735.3	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C(C)(C)C	4724.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C(C)(C)C	4700.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O)O2)C=C1O[Si](C)(C)C(C)(C)C	4718.0	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	4769.4	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)C=C1O	4734.9	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O)O2)C=C1O[Si](C)(C)C(C)(C)C	4726.6	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	4825.5	Semi standard non polar	33892256
Cyanidin 7-arabinoside,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C=C3C(=C/C(=[O+]/C4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O[Si](C)(C)C(C)(C)C	4773.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 7-arabinoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f79-8139300000-359a1e455410ad5d2485	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 7-arabinoside GC-MS (3 TMS) - 70eV, Positive	splash10-014i-2331039000-fd98322da4e18e0fb5d3	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 7-arabinoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cyanidin 7-arabinoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 7-arabinoside 10V, Positive-QTOF	splash10-00di-0100900000-cc66babcb089491da879	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 7-arabinoside 20V, Positive-QTOF	splash10-0159-0603900000-8f252dc3092e8e4d9d97	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 7-arabinoside 40V, Positive-QTOF	splash10-05ur-9712000000-6bdd857e7b61db0dce98	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 7-arabinoside 10V, Negative-QTOF	splash10-014i-1100900000-03679d151ce15ea08121	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 7-arabinoside 20V, Negative-QTOF	splash10-014i-3600900000-899afcd8c2007176f265	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 7-arabinoside 40V, Negative-QTOF	splash10-0006-9110000000-f11000b1063061bcad1e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 7-arabinoside 10V, Positive-QTOF	splash10-00kr-0080900000-bfb53bff8dd04d548420	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 7-arabinoside 20V, Positive-QTOF	splash10-000i-0090000000-7cb76121087fac93c558	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cyanidin 7-arabinoside 40V, Positive-QTOF	splash10-00kr-2490000000-832b11c280979532a4a3	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB017178

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752265

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Cyanidin 7-arabinoside (HMDB0037989)

MOL for HMDB0037989 (Cyanidin 7-arabinoside)

3D MOL for HMDB0037989 (Cyanidin 7-arabinoside)

3D SDF for HMDB0037989 (Cyanidin 7-arabinoside)

3D-SDF for HMDB0037989 (Cyanidin 7-arabinoside)

PDB for HMDB0037989 (Cyanidin 7-arabinoside)

3D PDB for HMDB0037989 (Cyanidin 7-arabinoside)

SMILES for HMDB0037989 (Cyanidin 7-arabinoside)

INCHI for HMDB0037989 (Cyanidin 7-arabinoside)

Structure for HMDB0037989 (Cyanidin 7-arabinoside)

3D Structure for HMDB0037989 (Cyanidin 7-arabinoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra