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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:16:27 UTC

Update Date

2022-03-07 02:55:35 UTC

HMDB ID

HMDB0037998

Secondary Accession Numbers

HMDB37998

Metabolite Identification

Common Name

Delphinidin 3-arabinoside

Description

Delphinidin 3-arabinoside 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. Delphinidin 3-arabinoside is found, on average, in the highest concentration within a few different foods, such as bilberries (Vaccinium myrtillus), highbush blueberries (Vaccinium corymbosum), and lowbush blueberries (Vaccinium angustifolium). Delphinidin 3-arabinoside has also been detected, but not quantified in, several different foods, such as spelts (Triticum spelta), strawberries (Fragaria X ananassa), cereals and cereal products, millets (Panicum miliaceum), and tartary buckwheats (Fagopyrum tataricum). This could make delphinidin 3-arabinoside a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Delphinidin 3-arabinoside.

Structure

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


  Mrv0541 02241214442D          

 31 34  0  0  0  0            999 V2000
    1.0719   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    3.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153    2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    1.0312    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -3.2150    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4044   -1.9287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594   -2.7133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4843   -2.7133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7393   -1.9287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0719   -1.4438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5239   -1.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693   -3.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1745   -3.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -4.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 27  1  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  1  0  0  0
 25 29  1  6  0  0  0
 24 30  1  6  0  0  0
 30 31  1  0  0  0  0
M  CHG  1  21   1
M  END

HMDB0037998
     RDKit          3D
Delphinidin 3-arabinoside
 50 53  0  0  0  0  0  0  0  0999 V2000
    5.6183    0.1517    1.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1585   -1.1299    1.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813   -1.2261    1.4938 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8809   -0.7329    0.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689   -0.1012    1.0725 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5938   -0.3713    0.4360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2725    0.4976   -0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    1.8783   -0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9299    2.7659   -0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    4.1202   -0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4363    4.6737   -0.1227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    4.9715   -1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7466    4.4821   -1.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6634    5.3419   -2.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591    3.1343   -1.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0663    2.2581   -1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2464    0.9855   -1.2901 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4391    0.0823   -0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8280   -1.2968   -0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1223   -2.3406   -0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6037   -3.6501   -0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8558   -4.7161    0.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -3.9103   -1.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2435   -5.2200   -1.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5096   -2.8699   -1.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6988   -3.1692   -2.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292   -1.5985   -1.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7520   -0.5397    2.5512 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2821   -1.8284    2.6925 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645   -0.5669    2.7899 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6862    0.7366    2.9161 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4762    0.3989    0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3889   -1.7242    0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7117   -1.5516    2.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402   -2.3140    1.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348    0.9687    1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8569    2.2400    0.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583    4.1711    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4218    6.0439   -1.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4420    5.7422   -1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8468    2.7407   -2.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1986   -2.2258    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0164   -4.5263    0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1190   -5.4021   -1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2337   -2.3883   -2.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6362   -0.7940   -1.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421    0.1893    3.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4233   -2.3967    1.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5137   -1.1888    3.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8186    1.2052    2.0655 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  1  0
 21 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
  5 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  3  1  0
 18  7  1  0
 27 19  1  0
 16  9  1  0
  1 32  1  0
  2 33  1  0
  2 34  1  0
  3 35  1  1
  5 36  1  1
  8 37  1  0
 11 38  1  0
 12 39  1  0
 14 40  1  0
 15 41  1  0
 20 42  1  0
 22 43  1  0
 24 44  1  0
 26 45  1  0
 27 46  1  0
 28 47  1  1
 29 48  1  0
 30 49  1  1
 31 50  1  0
M  CHG  1  17   1
M  END


  Mrv0541 02241214442D          

 31 34  0  0  0  0            999 V2000
    1.0719   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    3.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153    2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    1.0312    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -3.2150    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4044   -1.9287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594   -2.7133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4843   -2.7133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7393   -1.9287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0719   -1.4438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5239   -1.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693   -3.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1745   -3.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -4.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 27  1  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  1  0  0  0
 25 29  1  6  0  0  0
 24 30  1  6  0  0  0
 30 31  1  0  0  0  0
M  CHG  1  21   1
M  END
> <DATABASE_ID>
HMDB0037998

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O11/c21-6-15-17(27)18(28)20(31-15)30-14-5-9-10(23)3-8(22)4-13(9)29-19(14)7-1-11(24)16(26)12(25)2-7/h1-5,15,17-18,20-21,27-28H,6H2,(H4-,22,23,24,25,26)/p+1/t15-,17+,18-,20+/m0/s1

> <INCHI_KEY>
WIEYMFHXYNRELM-ZNWBIBPKSA-O

> <FORMULA>
C20H19O11

> <MOLECULAR_WEIGHT>
435.3583

> <EXACT_MASS>
435.09273645

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
41.39017815788103

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-{[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

> <ALOGPS_LOGP>
1.35

> <JCHEM_LOGP>
0.7750999999999988

> <ALOGPS_LOGS>
-3.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.293533114798032

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.36660985430888

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9811524252368704

> <JCHEM_POLAR_SURFACE_AREA>
193.43999999999997

> <JCHEM_REFRACTIVITY>
112.27589999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.66e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037998
     RDKit          3D
Delphinidin 3-arabinoside
 50 53  0  0  0  0  0  0  0  0999 V2000
    5.6183    0.1517    1.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1585   -1.1299    1.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813   -1.2261    1.4938 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8809   -0.7329    0.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689   -0.1012    1.0725 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5938   -0.3713    0.4360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2725    0.4976   -0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    1.8783   -0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9299    2.7659   -0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    4.1202   -0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4363    4.6737   -0.1227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    4.9715   -1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7466    4.4821   -1.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6634    5.3419   -2.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591    3.1343   -1.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0663    2.2581   -1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2464    0.9855   -1.2901 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4391    0.0823   -0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8280   -1.2968   -0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1223   -2.3406   -0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6037   -3.6501   -0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8558   -4.7161    0.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -3.9103   -1.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2435   -5.2200   -1.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5096   -2.8699   -1.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6988   -3.1692   -2.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292   -1.5985   -1.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7520   -0.5397    2.5512 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2821   -1.8284    2.6925 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645   -0.5669    2.7899 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6862    0.7366    2.9161 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4762    0.3989    0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3889   -1.7242    0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7117   -1.5516    2.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402   -2.3140    1.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348    0.9687    1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8569    2.2400    0.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583    4.1711    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4218    6.0439   -1.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4420    5.7422   -1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8468    2.7407   -2.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1986   -2.2258    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0164   -4.5263    0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1190   -5.4021   -1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2337   -2.3883   -2.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6362   -0.7940   -1.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421    0.1893    3.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4233   -2.3967    1.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5137   -1.1888    3.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8186    1.2052    2.0655 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  1  0
 21 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
  5 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  3  1  0
 18  7  1  0
 27 19  1  0
 16  9  1  0
  1 32  1  0
  2 33  1  0
  2 34  1  0
  3 35  1  1
  5 36  1  1
  8 37  1  0
 11 38  1  0
 12 39  1  0
 14 40  1  0
 15 41  1  0
 20 42  1  0
 22 43  1  0
 24 44  1  0
 26 45  1  0
 27 46  1  0
 28 47  1  1
 29 48  1  0
 30 49  1  1
 31 50  1  0
M  CHG  1  17   1
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       2.001  -1.155   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       3.334   5.775   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.334   4.235   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.001   3.465   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.001   1.925   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.334   1.155   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.668   1.925   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.002   1.155   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.668   3.465   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       6.002   4.235   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -3.334  -2.695   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -3.334  -1.155   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.668  -0.385   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.668   1.155   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.334   1.925   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.000   1.155   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.000  -0.385   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.667  -1.155   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.667  -0.385   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.667   1.155   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -0.667   1.925   0.000  0.00  0.00           O+1
HETATM   22  O   UNK     0      -6.001   1.925   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.755  -3.600   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.231  -5.065   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.771  -5.065   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.247  -3.600   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.001  -2.695   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       4.711  -3.124   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       3.676  -6.311   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       0.326  -6.311   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.952  -7.718   0.000  0.00  0.00           O+0
CONECT    1   19   27                                                       
CONECT    2    3                                                            
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   20                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    3    7   10                                                  
CONECT   10    9                                                            
CONECT   11   12                                                            
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   12   16   18                                                  
CONECT   18   17   19                                                       
CONECT   19    1   18   20                                                  
CONECT   20    5   19   21                                                  
CONECT   21   16   20                                                       
CONECT   22   14                                                            
CONECT   23   24   27                                                       
CONECT   24   23   25   30                                                  
CONECT   25   24   26   29                                                  
CONECT   26   25   27   28                                                  
CONECT   27    1   26   23                                                  
CONECT   28   26                                                            
CONECT   29   25                                                            
CONECT   30   24   31                                                       
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

COMPND    HMDB0037998
HETATM    1  O1  UNL     1       5.618   0.152   1.032  1.00  0.00           O  
HETATM    2  C1  UNL     1       5.158  -1.130   1.219  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.681  -1.226   1.494  1.00  0.00           C  
HETATM    4  O2  UNL     1       2.881  -0.733   0.510  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.769  -0.101   1.072  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.594  -0.371   0.436  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.272   0.498  -0.133  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.038   1.878  -0.129  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.930   2.766  -0.714  1.00  0.00           C  
HETATM   10  C7  UNL     1      -0.671   4.120  -0.695  1.00  0.00           C  
HETATM   11  O4  UNL     1       0.436   4.674  -0.123  1.00  0.00           O  
HETATM   12  C8  UNL     1      -1.608   4.972  -1.302  1.00  0.00           C  
HETATM   13  C9  UNL     1      -2.747   4.482  -1.898  1.00  0.00           C  
HETATM   14  O5  UNL     1      -3.663   5.342  -2.494  1.00  0.00           O  
HETATM   15  C10 UNL     1      -2.959   3.134  -1.892  1.00  0.00           C  
HETATM   16  C11 UNL     1      -2.066   2.258  -1.307  1.00  0.00           C  
HETATM   17  O6  UNL     1      -2.246   0.985  -1.290  1.00  0.00           O1+
HETATM   18  C12 UNL     1      -1.439   0.082  -0.751  1.00  0.00           C  
HETATM   19  C13 UNL     1      -1.828  -1.297  -0.842  1.00  0.00           C  
HETATM   20  C14 UNL     1      -1.122  -2.341  -0.349  1.00  0.00           C  
HETATM   21  C15 UNL     1      -1.604  -3.650  -0.498  1.00  0.00           C  
HETATM   22  O7  UNL     1      -0.856  -4.716   0.021  1.00  0.00           O  
HETATM   23  C16 UNL     1      -2.775  -3.910  -1.131  1.00  0.00           C  
HETATM   24  O8  UNL     1      -3.243  -5.220  -1.272  1.00  0.00           O  
HETATM   25  C17 UNL     1      -3.510  -2.870  -1.640  1.00  0.00           C  
HETATM   26  O9  UNL     1      -4.699  -3.169  -2.279  1.00  0.00           O  
HETATM   27  C18 UNL     1      -3.029  -1.598  -1.488  1.00  0.00           C  
HETATM   28  C19 UNL     1       1.752  -0.540   2.551  1.00  0.00           C  
HETATM   29  O10 UNL     1       1.282  -1.828   2.692  1.00  0.00           O  
HETATM   30  C20 UNL     1       3.265  -0.567   2.790  1.00  0.00           C  
HETATM   31  O11 UNL     1       3.686   0.737   2.916  1.00  0.00           O  
HETATM   32  H1  UNL     1       5.476   0.399   0.083  1.00  0.00           H  
HETATM   33  H2  UNL     1       5.389  -1.724   0.324  1.00  0.00           H  
HETATM   34  H3  UNL     1       5.712  -1.552   2.092  1.00  0.00           H  
HETATM   35  H4  UNL     1       3.440  -2.314   1.628  1.00  0.00           H  
HETATM   36  H5  UNL     1       2.035   0.969   1.121  1.00  0.00           H  
HETATM   37  H6  UNL     1       0.857   2.240   0.341  1.00  0.00           H  
HETATM   38  H7  UNL     1       1.158   4.171   0.331  1.00  0.00           H  
HETATM   39  H8  UNL     1      -1.422   6.044  -1.297  1.00  0.00           H  
HETATM   40  H9  UNL     1      -4.442   5.742  -1.965  1.00  0.00           H  
HETATM   41  H10 UNL     1      -3.847   2.741  -2.355  1.00  0.00           H  
HETATM   42  H11 UNL     1      -0.199  -2.226   0.158  1.00  0.00           H  
HETATM   43  H12 UNL     1       0.016  -4.526   0.493  1.00  0.00           H  
HETATM   44  H13 UNL     1      -4.119  -5.402  -1.746  1.00  0.00           H  
HETATM   45  H14 UNL     1      -5.234  -2.388  -2.652  1.00  0.00           H  
HETATM   46  H15 UNL     1      -3.636  -0.794  -1.903  1.00  0.00           H  
HETATM   47  H16 UNL     1       1.242   0.189   3.182  1.00  0.00           H  
HETATM   48  H17 UNL     1       1.423  -2.397   1.918  1.00  0.00           H  
HETATM   49  H18 UNL     1       3.514  -1.189   3.672  1.00  0.00           H  
HETATM   50  H19 UNL     1       3.819   1.205   2.066  1.00  0.00           H  
CONECT    1    2   32
CONECT    2    3   33   34
CONECT    3    4   30   35
CONECT    4    5
CONECT    5    6   28   36
CONECT    6    7
CONECT    7    8    8   18
CONECT    8    9   37
CONECT    9   10   10   16
CONECT   10   11   12
CONECT   11   38
CONECT   12   13   13   39
CONECT   13   14   15
CONECT   14   40
CONECT   15   16   16   41
CONECT   16   17
CONECT   17   18   18
CONECT   18   19
CONECT   19   20   20   27
CONECT   20   21   42
CONECT   21   22   23   23
CONECT   22   43
CONECT   23   24   25
CONECT   24   44
CONECT   25   26   27   27
CONECT   26   45
CONECT   27   46
CONECT   28   29   30   47
CONECT   29   48
CONECT   30   31   49
CONECT   31   50
END

HMDB0037998
     RDKit          3D
Delphinidin 3-arabinoside
 50 53  0  0  0  0  0  0  0  0999 V2000
    5.6183    0.1517    1.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1585   -1.1299    1.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813   -1.2261    1.4938 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8809   -0.7329    0.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689   -0.1012    1.0725 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5938   -0.3713    0.4360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2725    0.4976   -0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    1.8783   -0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9299    2.7659   -0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6707    4.1202   -0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4363    4.6737   -0.1227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    4.9715   -1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7466    4.4821   -1.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6634    5.3419   -2.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591    3.1343   -1.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0663    2.2581   -1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2464    0.9855   -1.2901 O   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4391    0.0823   -0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8280   -1.2968   -0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1223   -2.3406   -0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6037   -3.6501   -0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8558   -4.7161    0.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -3.9103   -1.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2435   -5.2200   -1.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5096   -2.8699   -1.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6988   -3.1692   -2.2792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292   -1.5985   -1.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7520   -0.5397    2.5512 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2821   -1.8284    2.6925 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645   -0.5669    2.7899 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6862    0.7366    2.9161 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4762    0.3989    0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3889   -1.7242    0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7117   -1.5516    2.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402   -2.3140    1.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348    0.9687    1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8569    2.2400    0.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583    4.1711    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4218    6.0439   -1.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4420    5.7422   -1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8468    2.7407   -2.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1986   -2.2258    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0164   -4.5263    0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1190   -5.4021   -1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2337   -2.3883   -2.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6362   -0.7940   -1.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421    0.1893    3.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4233   -2.3967    1.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5137   -1.1888    3.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8186    1.2052    2.0655 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  1  0
 21 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
  5 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  3  1  0
 18  7  1  0
 27 19  1  0
 16  9  1  0
  1 32  1  0
  2 33  1  0
  2 34  1  0
  3 35  1  1
  5 36  1  1
  8 37  1  0
 11 38  1  0
 12 39  1  0
 14 40  1  0
 15 41  1  0
 20 42  1  0
 22 43  1  0
 24 44  1  0
 26 45  1  0
 27 46  1  0
 28 47  1  1
 29 48  1  0
 30 49  1  1
 31 50  1  0
M  CHG  1  17   1
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₀H₁₉O₁₁

Average Molecular Weight

435.3583

Monoisotopic Molecular Weight

435.09273645

IUPAC Name

3-{[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

Traditional Name

3-{[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium

CAS Registry Number

28500-01-8

SMILES

OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C20H18O11/c21-6-15-17(27)18(28)20(31-15)30-14-5-9-10(23)3-8(22)4-13(9)29-19(14)7-1-11(24)16(26)12(25)2-7/h1-5,15,17-18,20-21,27-28H,6H2,(H4-,22,23,24,25,26)/p+1/t15-,17+,18-,20+/m0/s1

InChI Key

WIEYMFHXYNRELM-ZNWBIBPKSA-O

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Anthocyanidin-3-O-glycosides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Urine (PMID: 14705874)

Cellular substructure

Extracellular (HMDB: HMDB0037998)
Cytoplasm (HMDB: HMDB0037998)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037998)

Source

Exogenous

Exogenous (HMDB: HMDB0037998)

Food

Food (HMDB: HMDB0037998)

Cereal and cereal product

Cereal

Cereal product

Cereals and cereal products (FooDB: FOOD00858)

Soy

Soy bean (FooDB: FOOD00085)

Fruit

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Blackcurrant (FooDB: FOOD00155)
Lingonberry (FooDB: FOOD00194)
Strawberry (FooDB: FOOD00083)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Red raspberry (FooDB: FOOD00162)
Black crowberry (FooDB: FOOD00075)
Black chokeberry (FooDB: FOOD00136)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Canada blueberry (FooDB: FOOD00211)
Summer grape (FooDB: FOOD00227)
Rabbiteye blueberry (FooDB: FOOD00898)

Drupe

Sweet cherry (FooDB: FOOD00145)

Fruits (FooDB: FOOD00871)

Herb and spice

Herb

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

Other seed

Quinoa (FooDB: FOOD00441)

Endogenous

Plant

Plant (HMDB: HMDB0037998)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037998)

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	0.47 g/L	ALOGPS
logP	1.35	ALOGPS
logP	0.78	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	6.37	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	193.44 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	112.28 m³·mol⁻¹	ChemAxon
Polarizability	41.39 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	199.256	31661259
DarkChem	[M-H]-	194.951	31661259
DeepCCS	[M+H]+	191.476	30932474
DeepCCS	[M-H]-	189.08	30932474
DeepCCS	[M-2H]-	222.266	30932474
DeepCCS	[M+Na]+	197.388	30932474
AllCCS	[M+H]+	199.3	32859911
AllCCS	[M+H-H2O]+	196.7	32859911
AllCCS	[M+NH4]+	201.6	32859911
AllCCS	[M+Na]+	202.3	32859911
AllCCS	[M-H]-	197.5	32859911
AllCCS	[M+Na-2H]-	197.6	32859911
AllCCS	[M+HCOO]-	197.9	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	3.27 minutes	32390414
Predicted by Siyang on May 30, 2022	10.7141 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	5.3 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	124.7 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1292.3 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	197.9 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	89.3 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	149.6 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	70.3 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	418.2 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	328.4 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	624.7 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	638.9 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	290.7 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1260.2 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	217.6 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	243.4 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	502.9 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	429.6 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	359.7 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Delphinidin 3-arabinoside	OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	6639.1	Standard polar	33892256
Delphinidin 3-arabinoside	OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	4335.8	Standard non polar	33892256
Delphinidin 3-arabinoside	OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	4317.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Delphinidin 3-arabinoside,1TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	4194.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C=C12	4184.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TMS,isomer #3	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(O)=C(O)C(O)=C3)=[O+]C2=C1	4235.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O)=C1O	4161.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TMS,isomer #5	C[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)C=C1O	4103.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H](CO)[C@H]1O	4254.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TMS,isomer #7	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(O)=C(O)C(O)=C2)[C@H]1O	4254.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	4089.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C=C12	4103.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C)C=C12	4115.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	4106.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #13	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(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	4122.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #14	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(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	4026.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #15	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(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3993.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O)=C1O	4087.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #17	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)=CC(O)=C1O	4098.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #18	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(O[Si](C)(C)C)=C1O	4054.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O)=C1O[Si](C)(C)C	3999.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	4089.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #20	C[Si](C)(C)OC1=C(O)C=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	4029.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #21	C[Si](C)(C)OC1=C(O)C=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	4053.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H](CO)[C@H]1O[Si](C)(C)C	4193.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	4070.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O	4034.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	4168.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	4173.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	4035.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #8	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O)=C1O	4046.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TMS,isomer #9	C[Si](C)(C)OC1=C(O)C=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	4005.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	3940.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #10	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3961.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #11	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3921.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #12	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	4006.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #13	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	4014.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #14	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3958.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #15	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3959.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #16	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4074.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #17	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	3947.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #18	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	3953.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #19	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3853.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3936.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #20	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3885.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #21	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O)=C1O	3927.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #22	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O)=C1O	3938.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #23	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1O	3894.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #24	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O)=C1O[Si](C)(C)C	3861.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #25	C[Si](C)(C)OC1=C(O)C=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	3865.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #26	C[Si](C)(C)OC1=C(O)C=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	3888.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=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=C12	4027.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	4033.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3910.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O	3878.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3850.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #31	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(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3920.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #32	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(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3871.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #33	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(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3878.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #34	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(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3849.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #35	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O)=C1O	4019.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #36	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1O	3960.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #37	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O)=C1O[Si](C)(C)C	3914.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #38	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)=CC(O[Si](C)(C)C)=C1O	3968.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #39	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)=CC(O)=C1O[Si](C)(C)C	3924.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	4024.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #40	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(O[Si](C)(C)C)=C1O[Si](C)(C)C	3935.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #41	C[Si](C)(C)OC1=C(O)C=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	3956.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	4028.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3911.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #7	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O	3860.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #8	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	4014.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TMS,isomer #9	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	4021.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3793.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #10	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3792.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #11	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3958.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #12	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3809.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #13	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3807.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #14	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3850.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #15	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3850.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #16	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3804.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #17	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3799.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #18	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3968.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #19	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3888.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O	3825.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #20	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3892.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #21	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3892.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #22	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3871.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #23	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3870.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #24	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3946.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #25	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3885.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #26	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	3915.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #27	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3798.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #28	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3845.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #29	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3793.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3907.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #30	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3844.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #31	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3834.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #32	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3829.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #33	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O)=C1O	3865.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #34	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1O	3806.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #35	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O)=C1O[Si](C)(C)C	3794.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #36	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	3809.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #37	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	3795.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #38	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3817.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #39	C[Si](C)(C)OC1=C(O)C=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	3805.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3909.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3864.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3813.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3813.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #43	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3802.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #44	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(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3810.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #45	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(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3804.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #46	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(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3830.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #47	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	3908.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #48	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	3884.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #49	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3883.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3807.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #50	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3888.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3800.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #7	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3853.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #8	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3851.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TMS,isomer #9	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3800.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3817.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #10	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3775.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #11	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3767.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #12	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3769.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #13	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3800.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #14	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3756.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #15	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3831.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #16	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3787.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #17	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3791.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #18	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3783.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #19	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3787.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3806.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #20	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3810.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #21	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3771.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #22	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3859.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #23	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3858.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #24	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3838.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #25	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=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)C	3826.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #26	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3786.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #27	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C1	3833.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #28	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3831.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #29	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3820.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3774.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #30	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3828.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #31	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3816.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #32	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3822.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #33	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O	3799.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #34	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C	3787.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #35	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3811.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #36	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3814.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3811.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3801.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3828.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3780.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #40	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(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3831.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #41	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3876.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3808.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3816.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #7	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3853.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #8	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3815.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,5TMS,isomer #9	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3772.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O	3819.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #10	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3769.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #11	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=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)C	3760.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #12	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3823.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #13	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3816.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #14	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3783.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #15	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=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)C	3779.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #16	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=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)C	3838.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #17	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3834.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #18	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3817.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #19	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3822.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3809.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #20	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3824.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #21	C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	3815.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C1	3828.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3812.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3797.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3799.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3764.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #7	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3789.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #8	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O	3802.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,6TMS,isomer #9	C[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C	3797.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	4476.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=C(O)C(O)=C3)=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C=C12	4478.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TBDMS,isomer #3	CC(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(O)=C(O)C(O)=C3)=[O+]C2=C1	4492.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O)=C1O	4479.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)C=C1O	4442.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H](CO)[C@H]1O	4530.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](CO)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H]1O	4533.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	4591.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=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=C12	4640.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=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=C12	4644.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	4651.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	4653.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #14	CC(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(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4545.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #15	CC(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(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4538.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC(O)=C1O	4632.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	4643.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4570.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4531.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	4600.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=C(O)C=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	4590.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=C(O)C=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	4606.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)O[C@@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C	4713.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O	4602.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O	4566.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4670.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4668.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	4551.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O)=C1O	4540.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=C(O)C=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	4530.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O	4644.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O	4663.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=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	4636.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=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	4711.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4715.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=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	4664.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4661.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4777.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	4683.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	4686.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4622.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O	4630.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4680.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC(O)=C1O	4660.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	4668.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4630.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4611.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=C(O)C=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	4656.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=C(O)C=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	4667.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC(O)=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=C12	4755.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	4763.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4669.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O	4624.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4670.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4673.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4678.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4642.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4625.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	4750.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4690.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4660.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4693.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4668.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4716.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4650.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=C(O)C=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	4701.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4719.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O	4636.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O	4636.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4726.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4730.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O	4734.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4736.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4804.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O	4755.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=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	4740.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=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	4747.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4743.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=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	4765.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4754.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4822.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C(C)(C)C)=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	4747.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O	4793.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C(C)(C)C)=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	4761.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4752.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=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]1O	4736.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=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)C	4726.1	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=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)C	4781.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=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)C	4739.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O)=C3)=[O+]C2=C1	4770.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4757.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4834.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4752.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4762.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4833.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4796.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4780.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O	4751.0	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4748.8	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4729.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4754.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4735.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4719.5	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=C(O)C=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=C1O	4756.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4757.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4761.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C1	4774.4	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4770.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@@H]3O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4752.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #44	CC(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(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4770.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #45	CC(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(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4753.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #46	CC(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(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C1	4746.3	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1O	4772.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O[Si](C)(C)C(C)(C)C	4746.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4750.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O	4738.6	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	4760.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=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	4721.7	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=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	4733.2	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4725.9	Semi standard non polar	33892256
Delphinidin 3-arabinoside,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC(O)=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	4749.7	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 - Delphinidin 3-arabinoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ab9-9103200000-528bff0460288422ec1f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-arabinoside GC-MS (3 TMS) - 70eV, Positive	splash10-002r-6910128000-05cc5d5c9a55b6deb642	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-arabinoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Delphinidin 3-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 - Delphinidin 3-arabinoside 10V, Positive-QTOF	splash10-000i-0100900000-cfbce2d34297134d9e20	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-arabinoside 20V, Positive-QTOF	splash10-00lr-1300900000-960e93c80bfdaf41cf53	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-arabinoside 40V, Positive-QTOF	splash10-015a-9602000000-5a79501d8679d383ee17	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-arabinoside 10V, Negative-QTOF	splash10-001i-1100900000-f45c828e6fb218872ad0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-arabinoside 20V, Negative-QTOF	splash10-001i-2700900000-5bac816d979b7210fb65	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-arabinoside 40V, Negative-QTOF	splash10-0f7o-8910000000-c6cccf5a8fe21b55d473	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-arabinoside 10V, Positive-QTOF	splash10-0670-0008900000-13564c825935f5bf261d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-arabinoside 20V, Positive-QTOF	splash10-0a4r-0109700000-c31c644689c8c20e9b27	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Delphinidin 3-arabinoside 40V, Positive-QTOF	splash10-0a4i-3297000000-41967221fa5bb7b938f1	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 29	14705874	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 29	21987074	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Consuming polyphenols described by Phenol-Explorer entry 29	16968056	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB017192

KNApSAcK ID

C00006696

Chemspider ID

30777225

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752268

PDB ID

Not Available

ChEBI ID

168627

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 Delphinidin 3-arabinoside (HMDB0037998)

MOL for HMDB0037998 (Delphinidin 3-arabinoside)

3D MOL for HMDB0037998 (Delphinidin 3-arabinoside)

3D SDF for HMDB0037998 (Delphinidin 3-arabinoside)

3D-SDF for HMDB0037998 (Delphinidin 3-arabinoside)

PDB for HMDB0037998 (Delphinidin 3-arabinoside)

3D PDB for HMDB0037998 (Delphinidin 3-arabinoside)

SMILES for HMDB0037998 (Delphinidin 3-arabinoside)

INCHI for HMDB0037998 (Delphinidin 3-arabinoside)

Structure for HMDB0037998 (Delphinidin 3-arabinoside)

3D Structure for HMDB0037998 (Delphinidin 3-arabinoside)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra