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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:33:29 UTC

Update Date

2022-03-07 02:53:51 UTC

HMDB ID

HMDB0033795

Secondary Accession Numbers

HMDB33795

Metabolite Identification

Common Name

Quercetin 3-arabinoside

Description

Quercetin 3-arabinoside belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group. Quercetin 3-arabinoside has been detected, but not quantified in, several different foods, such as apples (Malus pumila), fennels (Foeniculum vulgare), anises (Pimpinella anisum), bilberries (Vaccinium myrtillus), and common walnuts (Juglans regia). This could make quercetin 3-arabinoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Quercetin 3-arabinoside.

Structure

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

  Mrv0541 02241214562D          

 31 34  0  0  0  0            999 V2000
   -1.7862   -1.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5012   -0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5012    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725   -0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -1.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2148    1.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3575   -0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3575    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    1.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    3.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    2.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711    1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711    1.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    1.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    2.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260   -1.2703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8411   -1.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260   -2.6051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1107   -2.3502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1107   -1.5252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0711   -0.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7781   -1.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7781   -2.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711   -3.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6231   -4.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
 27 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  6  0  0  0
 26 28  1  6  0  0  0
 25 29  1  1  0  0  0
 24 30  1  6  0  0  0
 30 31  1  0  0  0  0
M  END

HMDB0033795
     RDKit          3D
Quercetin 3-arabinoside
 49 52  0  0  0  0  0  0  0  0999 V2000
    0.8229   -0.6112    3.0884 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298   -0.8617    1.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242   -0.1044    0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1261    1.0008    0.9319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    1.0591    0.9953 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8869    2.1491    1.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2302    1.8114    1.4052 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1160    2.9389    0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0295    4.0421    1.8136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4068    0.6535    0.4205 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4584   -0.5557    1.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0192    0.7507   -0.2834 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1504    1.8784   -1.0814 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -0.4934   -0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    0.2022   -1.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4362   -0.4616   -2.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3256    0.1944   -4.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0027    1.5269   -4.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877    2.1684   -5.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936    2.1955   -2.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4741    3.5258   -2.9264 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    1.5156   -1.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2117   -1.5876   -0.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238   -2.3426    0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -3.4660    0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685   -4.2540    1.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4800   -5.3726    1.1607 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1984   -3.9326    2.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3948   -2.8105    2.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115   -2.4631    4.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453   -1.9988    1.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5472    0.1607    1.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5096    1.4562    2.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1645    2.5825    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9054    3.2001   -0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8552    4.6112    1.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2156    0.7927   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3888   -0.9027    1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7376   -0.1644   -0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200    1.6280   -1.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6858   -1.5041   -2.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -0.3522   -4.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445    3.1242   -5.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774    4.0936   -3.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7435    2.1248   -0.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.6297   -0.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7321   -5.9621    1.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4851   -4.5771    3.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007   -2.9788    4.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  3 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 14 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31  2  1  0
 12  5  1  0
 22 15  1  0
 31 24  1  0
  5 32  1  1
  7 33  1  1
  8 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  6
 11 38  1  0
 12 39  1  6
 13 40  1  0
 16 41  1  0
 17 42  1  0
 19 43  1  0
 21 44  1  0
 22 45  1  0
 25 46  1  0
 27 47  1  0
 28 48  1  0
 30 49  1  0
M  END

  Mrv0541 02241214562D          

 31 34  0  0  0  0            999 V2000
   -1.7862   -1.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5012   -0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5012    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725   -0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -1.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2148    1.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3575   -0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3575    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    1.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    3.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    2.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711    1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711    1.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    1.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    2.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260   -1.2703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8411   -1.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3260   -2.6051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1107   -2.3502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1107   -1.5252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0711   -0.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7781   -1.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7781   -2.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711   -3.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6231   -4.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
 27 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  6  0  0  0
 26 28  1  6  0  0  0
 25 29  1  1  0  0  0
 24 30  1  6  0  0  0
 30 31  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033795

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@@H]1O[C@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20+/m0/s1

> <INCHI_KEY>
BDCDNTVZSILEOY-BQCJVYABSA-N

> <FORMULA>
C20H18O11

> <MOLECULAR_WEIGHT>
434.3503

> <EXACT_MASS>
434.084911418

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
41.05915363972958

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.76

> <JCHEM_LOGP>
0.4854996460000001

> <ALOGPS_LOGS>
-2.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.451143017205652

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.433961808436129

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981152416465515

> <JCHEM_POLAR_SURFACE_AREA>
186.37

> <JCHEM_REFRACTIVITY>
103.31299999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.15e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033795
     RDKit          3D
Quercetin 3-arabinoside
 49 52  0  0  0  0  0  0  0  0999 V2000
    0.8229   -0.6112    3.0884 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298   -0.8617    1.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242   -0.1044    0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1261    1.0008    0.9319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    1.0591    0.9953 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8869    2.1491    1.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2302    1.8114    1.4052 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1160    2.9389    0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0295    4.0421    1.8136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4068    0.6535    0.4205 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4584   -0.5557    1.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0192    0.7507   -0.2834 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1504    1.8784   -1.0814 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -0.4934   -0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    0.2022   -1.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4362   -0.4616   -2.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3256    0.1944   -4.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0027    1.5269   -4.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877    2.1684   -5.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936    2.1955   -2.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4741    3.5258   -2.9264 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    1.5156   -1.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2117   -1.5876   -0.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238   -2.3426    0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -3.4660    0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685   -4.2540    1.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4800   -5.3726    1.1607 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1984   -3.9326    2.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3948   -2.8105    2.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115   -2.4631    4.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453   -1.9988    1.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5472    0.1607    1.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5096    1.4562    2.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1645    2.5825    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9054    3.2001   -0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8552    4.6112    1.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2156    0.7927   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3888   -0.9027    1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7376   -0.1644   -0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200    1.6280   -1.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6858   -1.5041   -2.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -0.3522   -4.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445    3.1242   -5.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774    4.0936   -3.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7435    2.1248   -0.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.6297   -0.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7321   -5.9621    1.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4851   -4.5771    3.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007   -2.9788    4.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  3 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 14 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31  2  1  0
 12  5  1  0
 22 15  1  0
 31 24  1  0
  5 32  1  1
  7 33  1  1
  8 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  6
 11 38  1  0
 12 39  1  6
 13 40  1  0
 16 41  1  0
 17 42  1  0
 19 43  1  0
 21 44  1  0
 22 45  1  0
 25 46  1  0
 27 47  1  0
 28 48  1  0
 30 49  1  0
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      -3.334  -2.447   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -3.334  -0.907   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.669  -0.137   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.669   1.403   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.334   2.173   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.002   1.403   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.002  -0.137   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.667  -0.907   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -0.667  -2.447   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -6.001   2.173   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.667  -0.137   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.667   1.403   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.667   2.173   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       3.334   6.023   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.334   4.483   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.999   3.713   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.999   2.173   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.334   1.403   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.669   2.173   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.669   3.713   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.001   4.483   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.475  -2.371   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.570  -3.617   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.475  -4.863   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.940  -4.387   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.940  -2.847   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       1.999  -0.907   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       5.186  -1.942   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       5.186  -5.292   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.999  -6.328   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       3.030  -7.472   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   13                                                  
CONECT    7    2    6    8                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8                                                            
CONECT   10    4                                                            
CONECT   11    8   27   12                                                  
CONECT   12   11   13   17                                                  
CONECT   13    6   12                                                       
CONECT   14   15                                                            
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   12   16   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   15   19   21                                                  
CONECT   21   20                                                            
CONECT   22   23   26   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   30                                                  
CONECT   25   24   26   29                                                  
CONECT   26   25   22   28                                                  
CONECT   27   11   22                                                       
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    HMDB0033795
HETATM    1  O1  UNL     1       0.823  -0.611   3.088  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.230  -0.862   1.938  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.924  -0.104   0.840  1.00  0.00           C  
HETATM    4  O2  UNL     1       0.126   1.001   0.932  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.241   1.059   0.995  1.00  0.00           C  
HETATM    6  O3  UNL     1      -1.887   2.149   1.438  1.00  0.00           O  
HETATM    7  C4  UNL     1      -3.230   1.811   1.405  1.00  0.00           C  
HETATM    8  C5  UNL     1      -4.116   2.939   0.963  1.00  0.00           C  
HETATM    9  O4  UNL     1      -4.029   4.042   1.814  1.00  0.00           O  
HETATM   10  C6  UNL     1      -3.407   0.654   0.420  1.00  0.00           C  
HETATM   11  O5  UNL     1      -3.458  -0.556   1.079  1.00  0.00           O  
HETATM   12  C7  UNL     1      -2.019   0.751  -0.283  1.00  0.00           C  
HETATM   13  O6  UNL     1      -2.150   1.878  -1.081  1.00  0.00           O  
HETATM   14  C8  UNL     1       1.434  -0.493  -0.349  1.00  0.00           C  
HETATM   15  C9  UNL     1       1.225   0.202  -1.617  1.00  0.00           C  
HETATM   16  C10 UNL     1       1.436  -0.462  -2.824  1.00  0.00           C  
HETATM   17  C11 UNL     1       1.326   0.194  -4.025  1.00  0.00           C  
HETATM   18  C12 UNL     1       1.003   1.527  -4.092  1.00  0.00           C  
HETATM   19  O7  UNL     1       0.888   2.168  -5.334  1.00  0.00           O  
HETATM   20  C13 UNL     1       0.794   2.196  -2.919  1.00  0.00           C  
HETATM   21  O8  UNL     1       0.474   3.526  -2.926  1.00  0.00           O  
HETATM   22  C14 UNL     1       0.909   1.516  -1.688  1.00  0.00           C  
HETATM   23  O9  UNL     1       2.212  -1.588  -0.490  1.00  0.00           O  
HETATM   24  C15 UNL     1       2.524  -2.343   0.555  1.00  0.00           C  
HETATM   25  C16 UNL     1       3.338  -3.466   0.332  1.00  0.00           C  
HETATM   26  C17 UNL     1       3.669  -4.254   1.396  1.00  0.00           C  
HETATM   27  O10 UNL     1       4.480  -5.373   1.161  1.00  0.00           O  
HETATM   28  C18 UNL     1       3.198  -3.933   2.670  1.00  0.00           C  
HETATM   29  C19 UNL     1       2.395  -2.811   2.842  1.00  0.00           C  
HETATM   30  O11 UNL     1       1.911  -2.463   4.076  1.00  0.00           O  
HETATM   31  C20 UNL     1       2.045  -1.999   1.784  1.00  0.00           C  
HETATM   32  H1  UNL     1      -1.547   0.161   1.648  1.00  0.00           H  
HETATM   33  H2  UNL     1      -3.510   1.456   2.428  1.00  0.00           H  
HETATM   34  H3  UNL     1      -5.164   2.582   1.003  1.00  0.00           H  
HETATM   35  H4  UNL     1      -3.905   3.200  -0.084  1.00  0.00           H  
HETATM   36  H5  UNL     1      -4.855   4.611   1.758  1.00  0.00           H  
HETATM   37  H6  UNL     1      -4.216   0.793  -0.292  1.00  0.00           H  
HETATM   38  H7  UNL     1      -4.389  -0.903   1.105  1.00  0.00           H  
HETATM   39  H8  UNL     1      -1.738  -0.164  -0.771  1.00  0.00           H  
HETATM   40  H9  UNL     1      -2.420   1.628  -1.995  1.00  0.00           H  
HETATM   41  H10 UNL     1       1.686  -1.504  -2.788  1.00  0.00           H  
HETATM   42  H11 UNL     1       1.498  -0.352  -4.954  1.00  0.00           H  
HETATM   43  H12 UNL     1       0.644   3.124  -5.471  1.00  0.00           H  
HETATM   44  H13 UNL     1       0.377   4.094  -3.742  1.00  0.00           H  
HETATM   45  H14 UNL     1       0.743   2.125  -0.804  1.00  0.00           H  
HETATM   46  H15 UNL     1       3.654  -3.630  -0.691  1.00  0.00           H  
HETATM   47  H16 UNL     1       4.732  -5.962   1.926  1.00  0.00           H  
HETATM   48  H17 UNL     1       3.485  -4.577   3.483  1.00  0.00           H  
HETATM   49  H18 UNL     1       2.101  -2.979   4.928  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   31
CONECT    3    4   14   14
CONECT    4    5
CONECT    5    6   12   32
CONECT    6    7
CONECT    7    8   10   33
CONECT    8    9   34   35
CONECT    9   36
CONECT   10   11   12   37
CONECT   11   38
CONECT   12   13   39
CONECT   13   40
CONECT   14   15   23
CONECT   15   16   16   22
CONECT   16   17   41
CONECT   17   18   18   42
CONECT   18   19   20
CONECT   19   43
CONECT   20   21   22   22
CONECT   21   44
CONECT   22   45
CONECT   23   24
CONECT   24   25   25   31
CONECT   25   26   46
CONECT   26   27   28   28
CONECT   27   47
CONECT   28   29   48
CONECT   29   30   31   31
CONECT   30   49
END

HMDB0033795
     RDKit          3D
Quercetin 3-arabinoside
 49 52  0  0  0  0  0  0  0  0999 V2000
    0.8229   -0.6112    3.0884 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298   -0.8617    1.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242   -0.1044    0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1261    1.0008    0.9319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    1.0591    0.9953 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8869    2.1491    1.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2302    1.8114    1.4052 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1160    2.9389    0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0295    4.0421    1.8136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4068    0.6535    0.4205 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4584   -0.5557    1.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0192    0.7507   -0.2834 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1504    1.8784   -1.0814 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -0.4934   -0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    0.2022   -1.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4362   -0.4616   -2.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3256    0.1944   -4.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0027    1.5269   -4.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877    2.1684   -5.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936    2.1955   -2.9192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4741    3.5258   -2.9264 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    1.5156   -1.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2117   -1.5876   -0.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238   -2.3426    0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -3.4660    0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685   -4.2540    1.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4800   -5.3726    1.1607 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1984   -3.9326    2.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3948   -2.8105    2.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115   -2.4631    4.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453   -1.9988    1.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5472    0.1607    1.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5096    1.4562    2.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1645    2.5825    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9054    3.2001   -0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8552    4.6112    1.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2156    0.7927   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3888   -0.9027    1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7376   -0.1644   -0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200    1.6280   -1.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6858   -1.5041   -2.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -0.3522   -4.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445    3.1242   -5.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3774    4.0936   -3.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7435    2.1248   -0.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.6297   -0.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7321   -5.9621    1.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4851   -4.5771    3.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007   -2.9788    4.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  3 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 14 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31  2  1  0
 12  5  1  0
 22 15  1  0
 31 24  1  0
  5 32  1  1
  7 33  1  1
  8 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  6
 11 38  1  0
 12 39  1  6
 13 40  1  0
 16 41  1  0
 17 42  1  0
 19 43  1  0
 21 44  1  0
 22 45  1  0
 25 46  1  0
 27 47  1  0
 28 48  1  0
 30 49  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Guaiaverin	HMDB
Guaijaverin	HMDB
Guajavarin	HMDB, MeSH
Quercetin 3-L-arabinoside	HMDB
Quercetin 3-O-alpha-L-arabinopyranoside	HMDB
Quercetin 3-O-alpha-L-arabinoside	HMDB, MeSH
Quercetin 3-O-arabinoside	HMDB

Chemical Formula

C₂₀H₁₈O₁₁

Average Molecular Weight

434.3503

Monoisotopic Molecular Weight

434.084911418

IUPAC Name

3-{[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

Traditional Name

3-{[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

CAS Registry Number

22255-13-6

SMILES

OC[C@@H]1O[C@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20+/m0/s1

InChI Key

BDCDNTVZSILEOY-BQCJVYABSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Sub Class

Linear diarylheptanoids

Direct Parent

Curcuminoids

Alternative Parents

Substituents

Desmethoxycurcumin
Hydroxycinnamic acid or derivatives
Methoxyphenol
Anisole
Phenoxy compound
Phenol ether
Styrene
Methoxybenzene
Phenol
1,3-diketone
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
1,3-dicarbonyl compound
Monocyclic benzene moiety
Acryloyl-group
Alpha,beta-unsaturated ketone
Enone
Ketone
Ether
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

enone (CHEBI:65737 )
polyphenol (CHEBI:65737 )
beta-diketone (CHEBI:65737 )
diarylheptanoid (CHEBI:65737 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033795)
Cytoplasm (HMDB: HMDB0033795)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033795)

Source

Exogenous

Exogenous (HMDB: HMDB0033795)

Food

Food (HMDB: HMDB0033795)

Fruit

Pome

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

Berry

Bilberry (FooDB: FOOD00193)
American cranberry (FooDB: FOOD00192)

Tropical fruit

Guava (FooDB: FOOD00150)

Fruits (FooDB: FOOD00871)

Herb and spice

Herb

Fennel (FooDB: FOOD00082)
Anise (FooDB: FOOD00137)
Sweet bay (FooDB: FOOD00097)

Spice

Star anise (FooDB: FOOD00090)

Nut

Common walnut (FooDB: FOOD00094)
Common hazelnut (FooDB: FOOD00062)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Endogenous

Plant

Plant (HMDB: HMDB0033795)
Theobroma cacao (HMDB: HMDB0033795)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0033795)
Anti septic (HMDB: HMDB0033795)

Modulator

Inhibitor

EC 1.1.1.21 (aldehyde reductase) inhibitor (HMDB: HMDB0033795)

Industrial application

Agriculture

Pesticide (HMDB: HMDB0033795)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	239 °C	Not Available
Boiling Point	828.10 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	6882 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	1.680 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.15 g/L	ALOGPS
logP	0.76	ALOGPS
logP	0.49	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	6.43	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	186.37 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	103.31 m³·mol⁻¹	ChemAxon
Polarizability	41.06 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
DeepCCS	[M+H]+	193.14	30932474
DeepCCS	[M-H]-	190.745	30932474
DeepCCS	[M-2H]-	223.885	30932474
DeepCCS	[M+Na]+	199.053	30932474
AllCCS	[M+H]+	198.8	32859911
AllCCS	[M+H-H2O]+	196.2	32859911
AllCCS	[M+NH4]+	201.2	32859911
AllCCS	[M+Na]+	201.9	32859911
AllCCS	[M-H]-	196.5	32859911
AllCCS	[M+Na-2H]-	196.5	32859911
AllCCS	[M+HCOO]-	196.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Quercetin 3-arabinoside	OC[C@@H]1O[C@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O	5999.8	Standard polar	33892256
Quercetin 3-arabinoside	OC[C@@H]1O[C@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O	4001.0	Standard non polar	33892256
Quercetin 3-arabinoside	OC[C@@H]1O[C@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O	4170.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Quercetin 3-arabinoside,1TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4104.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C(O)=C1)O2	4071.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	4128.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	4072.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4059.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H]1OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O	4155.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](CO)O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@@H]1O	4146.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	3996.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@H]1O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O)=C(C1=CC=C(O)C(O)=C1)O2	4031.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	4033.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	4043.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	4052.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	3985.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3974.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	4008.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	4017.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	3954.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	3991.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	3976.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4001.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](CO)O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@@H]1O[Si](C)(C)C	4075.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4019.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	4008.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	4051.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	4054.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	3995.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O	3985.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	3970.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	3910.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #10	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	3928.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #11	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3973.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #12	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3986.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #13	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3971.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #14	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3987.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #15	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3990.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #16	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	3921.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #17	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	3931.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #18	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	3943.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #19	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3944.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	3887.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O	3888.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O	3900.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	3874.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #23	C[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	3875.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #24	C[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	3891.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@H]1O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	3974.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	3985.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	3887.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3878.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	3904.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	3896.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3896.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3880.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	3946.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	3912.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	3924.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #35	C[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	3932.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3947.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3954.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	3873.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #7	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	3880.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #8	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3926.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TMS,isomer #9	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3932.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	3834.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #10	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3885.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #11	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	3864.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #12	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3810.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #13	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3808.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #14	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3804.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #15	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3803.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #16	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3871.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #17	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3882.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #18	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3880.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #19	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3934.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	3826.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #20	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3919.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #21	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	3893.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #22	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	3887.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #23	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3884.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #24	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	3892.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #25	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3890.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #26	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3895.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O	3823.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	3810.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	3819.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3877.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #30	C[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	3812.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	3837.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3829.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3826.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3835.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	3886.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3878.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	3874.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3826.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #7	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3825.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #8	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3821.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TMS,isomer #9	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3821.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	3856.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #10	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3784.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #11	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3837.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #12	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3851.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #13	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3788.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #14	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3770.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #15	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3834.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #16	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	3866.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #17	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3862.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #18	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3863.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #19	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3864.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3810.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	3815.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3832.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3810.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3801.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3799.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3852.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #7	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3843.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #8	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3855.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,5TMS,isomer #9	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3800.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,6TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O	3836.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,6TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C	3841.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,6TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3809.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,6TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3796.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,6TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3826.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,6TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3828.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,6TMS,isomer #7	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3860.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4380.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O)=C(C1=CC=C(O)C(O)=C1)O2	4359.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	4375.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	4363.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4338.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H]1OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C2C1=O	4408.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@@H]1O	4402.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4476.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@H]1O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)=C(C1=CC=C(O)C(O)=C1)O2	4501.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	4503.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	4517.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	4523.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	4494.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4466.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	4489.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	4497.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4432.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4464.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4449.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4471.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@@H]1O[Si](C)(C)C(C)(C)C	4548.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4493.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	4486.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4516.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4520.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	4472.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O	4483.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	4454.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4564.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	4585.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4616.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4613.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4600.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4599.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4637.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	4601.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	4609.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	4674.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4635.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4591.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O	4601.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O	4610.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4560.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	4566.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	4575.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[C@H]1O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	4626.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	4646.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	4615.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4582.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	4626.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	4585.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4593.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4570.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=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(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	4612.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4574.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4584.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(C2=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(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	4590.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4592.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4588.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4556.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	4549.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4565.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4560.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O	4685.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4681.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	4742.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4682.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4681.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4663.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4666.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4655.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4678.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4674.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4719.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	4671.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4683.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	4678.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	4820.2	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4785.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	4814.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4779.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4748.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=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(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O	4701.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4680.7	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4676.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4675.5	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(C2=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(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	4673.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	4720.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4693.8	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4700.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[C@H]3O[C@@H](CO)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	4699.4	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=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(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4676.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4664.1	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H]1O	4781.9	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4714.6	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4712.3	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4701.0	Semi standard non polar	33892256
Quercetin 3-arabinoside,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4702.8	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 - Quercetin 3-arabinoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-074l-9002200000-2d25b1439162975be189	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-arabinoside GC-MS (3 TMS) - 70eV, Positive	splash10-000i-6900016000-052fe746be5b26272330	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 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 - Quercetin 3-arabinoside 10V, Positive-QTOF	splash10-0udr-1239700000-28b26f9b0787af6359a8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-arabinoside 20V, Positive-QTOF	splash10-0udi-0269100000-7a94db25e6a9fec0926f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-arabinoside 40V, Positive-QTOF	splash10-0f79-3972000000-fc79be30bd59abcaa268	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-arabinoside 10V, Negative-QTOF	splash10-0f89-1115900000-e00178a2826bcd705265	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-arabinoside 20V, Negative-QTOF	splash10-0ue9-0649200000-08c4ad36ee9b747c1603	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-arabinoside 40V, Negative-QTOF	splash10-0zgr-2952000000-5bfe8c304eb8f6a07051	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-arabinoside 10V, Negative-QTOF	splash10-001i-0000900000-5783c018f9dec347d81f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-arabinoside 20V, Negative-QTOF	splash10-0f89-0300900000-54efe938cd8127c33b3b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-arabinoside 40V, Negative-QTOF	splash10-0ue9-1910200000-7f4dea7cc660d252c92f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-arabinoside 10V, Positive-QTOF	splash10-000i-0000900000-1453f61e7eeaeb92b36b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-arabinoside 20V, Positive-QTOF	splash10-000i-0000900000-a73a1bd1968f25a6dee4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-arabinoside 40V, Positive-QTOF	splash10-0udr-1911300000-24dd47b5a2f4224e1602	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB011955

KNApSAcK ID

C00053738

Chemspider ID

8427825

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10252339

PDB ID

Not Available

ChEBI ID

167916

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1485731

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 Quercetin 3-arabinoside (HMDB0033795)

MOL for HMDB0033795 (Quercetin 3-arabinoside)

3D MOL for HMDB0033795 (Quercetin 3-arabinoside)

3D SDF for HMDB0033795 (Quercetin 3-arabinoside)

3D-SDF for HMDB0033795 (Quercetin 3-arabinoside)

PDB for HMDB0033795 (Quercetin 3-arabinoside)

3D PDB for HMDB0033795 (Quercetin 3-arabinoside)

SMILES for HMDB0033795 (Quercetin 3-arabinoside)

INCHI for HMDB0033795 (Quercetin 3-arabinoside)

Structure for HMDB0033795 (Quercetin 3-arabinoside)

3D Structure for HMDB0033795 (Quercetin 3-arabinoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra