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Showing metabocard for Quercetin 7-xyloside (HMDB0037927)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:11:22 UTC
Update Date2022-03-07 02:55:34 UTC
HMDB IDHMDB0037927
Secondary Accession Numbers
  • HMDB37927
Metabolite Identification
Common NameQuercetin 7-xyloside
DescriptionQuercetin 7-xyloside belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Quercetin 7-xyloside has been detected, but not quantified in, fruits. This could make quercetin 7-xyloside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Quercetin 7-xyloside.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0037927 (Quercetin 7-xyloside)


  Mrv0541 05061310052D          

 31 34  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19  7  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  2  0  0  0  0
 27 17  1  0  0  0  0
 28 18  1  0  0  0  0
 29  6  1  0  0  0  0
 29 20  1  0  0  0  0
 30  8  1  0  0  0  0
 30 20  1  0  0  0  0
 31 13  1  0  0  0  0
 31 19  1  0  0  0  0
M  END
Download

3D MOL for HMDB0037927 (Quercetin 7-xyloside)

HMDB0037927
     RDKit          3D
Quercetin 7-xyloside
 49 52  0  0  0  0  0  0  0  0999 V2000
    1.8327    4.3287    0.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8005    3.0857   -0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550    2.4051   -0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0764    3.1791   -0.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9834    1.0539   -0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1434    0.2979   -1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3654    0.8183   -1.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4480    0.0194   -1.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3060   -1.3335   -2.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3646   -2.1433   -2.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0684   -1.8728   -1.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9201   -3.2454   -1.9213 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146   -1.0852   -1.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8335    0.4165   -0.5533 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7282    0.9866   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105    0.1793    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6057    0.7118    0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7568   -0.0134    0.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -1.3764    0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8930   -1.5812   -0.4990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9873   -0.7509   -0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4217   -0.6448    1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1816    0.6169    1.6709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8788   -1.7135    2.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7362   -2.8240    1.9863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4538   -2.0734    1.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4354   -3.4546    1.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354    2.0649    0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5248    2.9100    0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6484    4.2421    0.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6638    2.3520    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0869    4.1726   -0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5594    1.8691   -1.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4105    0.4493   -2.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2626   -1.7448   -2.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0268   -3.7064   -1.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0359   -1.5228   -1.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301   -0.8705   -0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0337   -1.9401    0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7822   -1.1031   -1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6920    0.2632   -0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5458   -0.7562    1.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1430    1.3239    0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9446   -1.3206    3.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4783   -2.6546    1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896   -1.9508    2.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0637   -3.5746    0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5610    2.5466    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0351    4.9639    0.6085 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
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 17 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31  2  1  0
 13  6  1  0
 31 15  1  0
 26 19  1  0
  4 32  1  0
  7 33  1  0
  8 34  1  0
 10 35  1  0
 12 36  1  0
 13 37  1  0
 16 38  1  0
 19 39  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
 23 43  1  0
 24 44  1  0
 25 45  1  0
 26 46  1  0
 27 47  1  0
 28 48  1  0
 30 49  1  0
M  END
Download

3D SDF for HMDB0037927 (Quercetin 7-xyloside)


  Mrv0541 05061310052D          

 31 34  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19  7  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  2  0  0  0  0
 27 17  1  0  0  0  0
 28 18  1  0  0  0  0
 29  6  1  0  0  0  0
 29 20  1  0  0  0  0
 30  8  1  0  0  0  0
 30 20  1  0  0  0  0
 31 13  1  0  0  0  0
 31 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037927

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O

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

> <INCHI_KEY>
RRZGGCNIIVPLCJ-UHFFFAOYSA-N

> <FORMULA>
C20H18O11

> <MOLECULAR_WEIGHT>
434.3503

> <EXACT_MASS>
434.084911418

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
41.46503490680455

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.99

> <JCHEM_LOGP>
0.5185663126666668

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.731881458292584

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.977523871952989

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5265985037685867

> <JCHEM_POLAR_SURFACE_AREA>
186.36999999999995

> <JCHEM_REFRACTIVITY>
103.0441

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.09e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0037927 (Quercetin 7-xyloside)

HMDB0037927
     RDKit          3D
Quercetin 7-xyloside
 49 52  0  0  0  0  0  0  0  0999 V2000
    1.8327    4.3287    0.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8005    3.0857   -0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550    2.4051   -0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0764    3.1791   -0.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9834    1.0539   -0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1434    0.2979   -1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3654    0.8183   -1.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4480    0.0194   -1.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3060   -1.3335   -2.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3646   -2.1433   -2.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0684   -1.8728   -1.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9201   -3.2454   -1.9213 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146   -1.0852   -1.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8335    0.4165   -0.5533 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7282    0.9866   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105    0.1793    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6057    0.7118    0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7568   -0.0134    0.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -1.3764    0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8930   -1.5812   -0.4990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9873   -0.7509   -0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4217   -0.6448    1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1816    0.6169    1.6709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8788   -1.7135    2.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7362   -2.8240    1.9863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4538   -2.0734    1.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4354   -3.4546    1.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354    2.0649    0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5248    2.9100    0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6484    4.2421    0.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6638    2.3520    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0869    4.1726   -0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5594    1.8691   -1.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4105    0.4493   -2.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2626   -1.7448   -2.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0268   -3.7064   -1.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0359   -1.5228   -1.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301   -0.8705   -0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0337   -1.9401    0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7822   -1.1031   -1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6920    0.2632   -0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5458   -0.7562    1.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1430    1.3239    0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9446   -1.3206    3.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4783   -2.6546    1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7896   -1.9508    2.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0637   -3.5746    0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5610    2.5466    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0351    4.9639    0.6085 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
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 17 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31  2  1  0
 13  6  1  0
 31 15  1  0
 26 19  1  0
  4 32  1  0
  7 33  1  0
  8 34  1  0
 10 35  1  0
 12 36  1  0
 13 37  1  0
 16 38  1  0
 19 39  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
 23 43  1  0
 24 44  1  0
 25 45  1  0
 26 46  1  0
 27 47  1  0
 28 48  1  0
 30 49  1  0
M  END
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PDB for HMDB0037927 (Quercetin 7-xyloside)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -2.667   6.160   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    7                                                       
CONECT    2    1    9                                                       
CONECT    3    7   10                                                       
CONECT    4    8   11                                                       
CONECT    5    8   13                                                       
CONECT    6   12   29                                                       
CONECT    7    1    3   19                                                  
CONECT    8    4    5   30                                                  
CONECT    9    2   10   21                                                  
CONECT   10    3    9   22                                                  
CONECT   11    4   14   23                                                  
CONECT   12    6   15   24                                                  
CONECT   13    5   14   31                                                  
CONECT   14   11   13   16                                                  
CONECT   15   12   18   25                                                  
CONECT   16   14   17   26                                                  
CONECT   17   16   19   27                                                  
CONECT   18   15   20   28                                                  
CONECT   19    7   17   31                                                  
CONECT   20   18   29   30                                                  
CONECT   21    9                                                            
CONECT   22   10                                                            
CONECT   23   11                                                            
CONECT   24   12                                                            
CONECT   25   15                                                            
CONECT   26   16                                                            
CONECT   27   17                                                            
CONECT   28   18                                                            
CONECT   29    6   20                                                       
CONECT   30    8   20                                                       
CONECT   31   13   19                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END
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3D PDB for HMDB0037927 (Quercetin 7-xyloside)

COMPND    HMDB0037927
HETATM    1  O1  UNL     1       1.833   4.329   0.003  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.800   3.086  -0.165  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.955   2.405  -0.580  1.00  0.00           C  
HETATM    4  O2  UNL     1       4.076   3.179  -0.780  1.00  0.00           O  
HETATM    5  C3  UNL     1       2.983   1.054  -0.780  1.00  0.00           C  
HETATM    6  C4  UNL     1       4.143   0.298  -1.208  1.00  0.00           C  
HETATM    7  C5  UNL     1       5.365   0.818  -1.473  1.00  0.00           C  
HETATM    8  C6  UNL     1       6.448   0.019  -1.885  1.00  0.00           C  
HETATM    9  C7  UNL     1       6.306  -1.334  -2.036  1.00  0.00           C  
HETATM   10  O3  UNL     1       7.365  -2.143  -2.443  1.00  0.00           O  
HETATM   11  C8  UNL     1       5.068  -1.873  -1.769  1.00  0.00           C  
HETATM   12  O4  UNL     1       4.920  -3.245  -1.921  1.00  0.00           O  
HETATM   13  C9  UNL     1       4.015  -1.085  -1.367  1.00  0.00           C  
HETATM   14  O5  UNL     1       1.834   0.416  -0.553  1.00  0.00           O  
HETATM   15  C10 UNL     1       0.728   0.987  -0.167  1.00  0.00           C  
HETATM   16  C11 UNL     1      -0.410   0.179   0.032  1.00  0.00           C  
HETATM   17  C12 UNL     1      -1.606   0.712   0.438  1.00  0.00           C  
HETATM   18  O6  UNL     1      -2.757  -0.013   0.652  1.00  0.00           O  
HETATM   19  C13 UNL     1      -2.918  -1.376   0.503  1.00  0.00           C  
HETATM   20  O7  UNL     1      -3.893  -1.581  -0.499  1.00  0.00           O  
HETATM   21  C14 UNL     1      -4.987  -0.751  -0.310  1.00  0.00           C  
HETATM   22  C15 UNL     1      -5.422  -0.645   1.116  1.00  0.00           C  
HETATM   23  O8  UNL     1      -5.182   0.617   1.671  1.00  0.00           O  
HETATM   24  C16 UNL     1      -4.879  -1.713   2.006  1.00  0.00           C  
HETATM   25  O9  UNL     1      -5.736  -2.824   1.986  1.00  0.00           O  
HETATM   26  C17 UNL     1      -3.454  -2.073   1.736  1.00  0.00           C  
HETATM   27  O10 UNL     1      -3.435  -3.455   1.424  1.00  0.00           O  
HETATM   28  C18 UNL     1      -1.635   2.065   0.638  1.00  0.00           C  
HETATM   29  C19 UNL     1      -0.525   2.910   0.452  1.00  0.00           C  
HETATM   30  O11 UNL     1      -0.648   4.242   0.675  1.00  0.00           O  
HETATM   31  C20 UNL     1       0.664   2.352   0.045  1.00  0.00           C  
HETATM   32  H1  UNL     1       4.087   4.173  -0.642  1.00  0.00           H  
HETATM   33  H2  UNL     1       5.559   1.869  -1.379  1.00  0.00           H  
HETATM   34  H3  UNL     1       7.411   0.449  -2.090  1.00  0.00           H  
HETATM   35  H4  UNL     1       8.263  -1.745  -2.635  1.00  0.00           H  
HETATM   36  H5  UNL     1       4.027  -3.706  -1.739  1.00  0.00           H  
HETATM   37  H6  UNL     1       3.036  -1.523  -1.157  1.00  0.00           H  
HETATM   38  H7  UNL     1      -0.330  -0.871  -0.139  1.00  0.00           H  
HETATM   39  H8  UNL     1      -2.034  -1.940   0.178  1.00  0.00           H  
HETATM   40  H9  UNL     1      -5.782  -1.103  -1.000  1.00  0.00           H  
HETATM   41  H10 UNL     1      -4.692   0.263  -0.666  1.00  0.00           H  
HETATM   42  H11 UNL     1      -6.546  -0.756   1.122  1.00  0.00           H  
HETATM   43  H12 UNL     1      -5.143   1.324   0.983  1.00  0.00           H  
HETATM   44  H13 UNL     1      -4.945  -1.321   3.063  1.00  0.00           H  
HETATM   45  H14 UNL     1      -6.478  -2.655   1.362  1.00  0.00           H  
HETATM   46  H15 UNL     1      -2.790  -1.951   2.609  1.00  0.00           H  
HETATM   47  H16 UNL     1      -4.064  -3.575   0.665  1.00  0.00           H  
HETATM   48  H17 UNL     1      -2.561   2.547   0.962  1.00  0.00           H  
HETATM   49  H18 UNL     1      -0.035   4.964   0.609  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   31
CONECT    3    4    5    5
CONECT    4   32
CONECT    5    6   14
CONECT    6    7    7   13
CONECT    7    8   33
CONECT    8    9    9   34
CONECT    9   10   11
CONECT   10   35
CONECT   11   12   13   13
CONECT   12   36
CONECT   13   37
CONECT   14   15
CONECT   15   16   16   31
CONECT   16   17   38
CONECT   17   18   28   28
CONECT   18   19
CONECT   19   20   26   39
CONECT   20   21
CONECT   21   22   40   41
CONECT   22   23   24   42
CONECT   23   43
CONECT   24   25   26   44
CONECT   25   45
CONECT   26   27   46
CONECT   27   47
CONECT   28   29   48
CONECT   29   30   31   31
CONECT   30   49
END
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SMILES for HMDB0037927 (Quercetin 7-xyloside)

OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O
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INCHI for HMDB0037927 (Quercetin 7-xyloside)

InChI=1S/C20H18O11/c21-9-2-1-7(3-10(9)22)19-17(27)16(26)14-11(23)4-8(5-13(14)31-19)30-20-18(28)15(25)12(24)6-29-20/h1-5,12,15,18,20-25,27-28H,6H2
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC20H18O11
Average Molecular Weight434.3503
Monoisotopic Molecular Weight434.084911418
IUPAC Name2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one
Traditional Name2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one
CAS Registry Number82178-32-3
SMILES
OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O
InChI Identifier
InChI=1S/C20H18O11/c21-9-2-1-7(3-10(9)22)19-17(27)16(26)14-11(23)4-8(5-13(14)31-19)30-20-18(28)15(25)12(24)6-29-20/h1-5,12,15,18,20-25,27-28H,6H2
InChI KeyRRZGGCNIIVPLCJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-7-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-7-o-glycoside
  • 3-hydroxyflavone
  • Hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Flavone
  • Phenolic glycoside
  • O-glycosyl compound
  • Glycosyl compound
  • Chromone
  • 1-benzopyran
  • Benzopyran
  • Catechol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Pyranone
  • 1-hydroxy-4-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Monosaccharide
  • Oxane
  • Vinylogous acid
  • Heteroaromatic compound
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Acetal
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point245 - 247 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.09 g/LALOGPS
logP0.99ALOGPS
logP0.52ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)7.98ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area186.37 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity103.04 m³·mol⁻¹ChemAxon
Polarizability41.47 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+200.58831661259
DarkChem[M-H]-196.12131661259
DeepCCS[M+H]+198.73330932474
DeepCCS[M-H]-196.33830932474
DeepCCS[M-2H]-229.30730932474
DeepCCS[M+Na]+204.64630932474
AllCCS[M+H]+199.432859911
AllCCS[M+H-H2O]+196.832859911
AllCCS[M+NH4]+201.732859911
AllCCS[M+Na]+202.432859911
AllCCS[M-H]-196.132859911
AllCCS[M+Na-2H]-196.332859911
AllCCS[M+HCOO]-196.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Quercetin 7-xylosideOC1COC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O4905.8Standard polar33892256
Quercetin 7-xylosideOC1COC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O4205.6Standard non polar33892256
Quercetin 7-xylosideOC1COC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O4238.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Quercetin 7-xyloside,1TMS,isomer #1C[Si](C)(C)OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O4304.8Semi standard non polar33892256
Quercetin 7-xyloside,1TMS,isomer #2C[Si](C)(C)OC1=CC(OC2OCC(O)C(O)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24277.3Semi standard non polar33892256
Quercetin 7-xyloside,1TMS,isomer #3C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O)C3O)=CC(O)=C2C1=O4252.9Semi standard non polar33892256
Quercetin 7-xyloside,1TMS,isomer #4C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)=CC=C1O4314.1Semi standard non polar33892256
Quercetin 7-xyloside,1TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O4321.2Semi standard non polar33892256
Quercetin 7-xyloside,1TMS,isomer #6C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)OCC(O)C1O4292.0Semi standard non polar33892256
Quercetin 7-xyloside,1TMS,isomer #7C[Si](C)(C)OC1C(O)COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C1O4290.1Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #1C[Si](C)(C)OC1=CC(OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24210.7Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #10C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)=CC=C1O4211.9Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #11C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O4166.7Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O4177.4Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #13C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)=CC=C1O4164.3Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #14C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O4143.4Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #15C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O4159.6Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #16C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O4182.1Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #17C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O4191.7Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #18C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C4188.9Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O4212.2Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #2C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C)C(O)C3O)=CC(O)=C2C1=O4162.9Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O4219.8Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #21C[Si](C)(C)OC1C(O)COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C1O[Si](C)(C)C4216.6Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O4218.5Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #4C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O4190.1Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #5C[Si](C)(C)OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C1O4217.6Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #6C[Si](C)(C)OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O[Si](C)(C)C4229.9Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #7C[Si](C)(C)OC1=CC(OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24186.7Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #8C[Si](C)(C)OC1=CC(OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24197.4Semi standard non polar33892256
Quercetin 7-xyloside,2TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O4236.1Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #1C[Si](C)(C)OC1=CC(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24085.8Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O4081.5Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O4086.8Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C4059.5Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #13C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O4052.9Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #14C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O4060.5Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #15C[Si](C)(C)OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4172.6Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #16C[Si](C)(C)OC1=CC(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24081.5Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O4063.3Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #18C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O4041.1Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #19C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O4002.4Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #2C[Si](C)(C)OC1=CC(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24091.0Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O4047.6Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #21C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O4025.9Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #22C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O4036.1Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #23C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O4062.2Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #24C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C4064.5Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #25C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)=CC=C1O4048.2Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #26C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O3992.2Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #27C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O4030.1Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #28C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C4048.1Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #29C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O3975.8Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O4065.6Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #30C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O4016.9Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #31C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O4063.9Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #32C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O4056.9Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #33C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C4028.3Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #34C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C4069.9Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #35C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O4082.8Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #4C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O4040.6Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #5C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C)=C2C1=O4038.1Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O4026.4Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #7C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O4011.2Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #8C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O)=C2C1=O4068.8Semi standard non polar33892256
Quercetin 7-xyloside,3TMS,isomer #9C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O)=C2C1=O4098.7Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #1C[Si](C)(C)OC1=CC(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24032.8Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #10C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O3933.3Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O3911.1Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O3941.6Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C3940.2Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #14C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O3897.8Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #15C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O3926.5Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #16C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O)=C2C1=O4037.5Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O4006.7Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #18C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C3951.5Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3967.4Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O3933.9Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #20C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O3981.9Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #21C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O3940.6Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #22C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O3916.1Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #23C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O3949.1Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #24C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O3942.4Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #25C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C3944.4Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #26C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O3926.6Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #27C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O3925.5Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #28C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3942.9Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #29C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O3906.4Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #3C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O3907.2Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #30C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C3961.7Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #31C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O3920.3Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #32C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C3891.4Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #33C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3957.8Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #34C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O3907.5Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #35C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3963.8Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #4C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=CC(O[Si](C)(C)C)=C2C1=O3941.1Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O3951.5Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #6C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O3926.8Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #7C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O3975.9Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #8C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O3947.6Semi standard non polar33892256
Quercetin 7-xyloside,4TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C3962.8Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O3902.7Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C3898.5Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O3893.0Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C3873.8Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3896.1Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #14C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O3880.8Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3933.6Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #16C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O3882.2Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3894.7Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #18C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O3871.0Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C3888.0Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #2C[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O3881.2Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3883.9Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #21C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3890.7Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #3C[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2C1=O3914.4Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O3879.9Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C3883.8Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #6C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O3867.8Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O3890.0Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #8C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3906.7Semi standard non polar33892256
Quercetin 7-xyloside,5TMS,isomer #9C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O3878.6Semi standard non polar33892256
Quercetin 7-xyloside,6TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O3846.3Semi standard non polar33892256
Quercetin 7-xyloside,6TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3860.7Semi standard non polar33892256
Quercetin 7-xyloside,6TMS,isomer #3C[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O3843.2Semi standard non polar33892256
Quercetin 7-xyloside,6TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C3846.1Semi standard non polar33892256
Quercetin 7-xyloside,6TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3854.4Semi standard non polar33892256
Quercetin 7-xyloside,6TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3873.3Semi standard non polar33892256
Quercetin 7-xyloside,6TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C3851.0Semi standard non polar33892256
Quercetin 7-xyloside,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O4592.2Semi standard non polar33892256
Quercetin 7-xyloside,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(OC2OCC(O)C(O)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24527.9Semi standard non polar33892256
Quercetin 7-xyloside,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O)C3O)=CC(O)=C2C1=O4517.5Semi standard non polar33892256
Quercetin 7-xyloside,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)=CC=C1O4556.5Semi standard non polar33892256
Quercetin 7-xyloside,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O4564.1Semi standard non polar33892256
Quercetin 7-xyloside,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)OCC(O)C1O4582.2Semi standard non polar33892256
Quercetin 7-xyloside,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C1O4583.8Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24705.7Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)=CC=C1O4695.5Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O4674.7Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O4696.4Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)=CC=C1O4670.1Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O4666.6Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O4676.4Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O4692.9Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4682.9Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4685.4Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O4732.3Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O)=C2C1=O4685.9Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O4714.4Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C1O[Si](C)(C)C(C)(C)C4728.4Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O4737.0Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O4703.9Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C1O4733.5Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O[Si](C)(C)C(C)(C)C4747.9Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24695.2Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24694.1Semi standard non polar33892256
Quercetin 7-xyloside,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O4727.5Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24782.4Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O4815.9Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O4819.6Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4780.1Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O4773.0Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4776.5Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1COC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4802.9Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24771.0Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O4854.4Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O4805.6Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O4709.1Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24795.7Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O4816.2Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4773.1Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O4713.8Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O4830.0Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4838.6Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)=CC=C1O4789.9Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O4741.2Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O4731.6Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4754.3Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O4703.0Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O4852.1Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4694.5Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O4729.9Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4767.4Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4763.4Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4757.4Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O4809.1Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O4809.0Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O4731.5Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O4760.6Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O4721.0Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O)=C2C1=O4741.8Semi standard non polar33892256
Quercetin 7-xyloside,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O4775.2Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(O)=C(C1=CC=C(O)C(O)=C1)O24887.8Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O4842.8Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O4825.6Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O4832.8Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4813.2Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O4787.7Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4793.3Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2C1=O4847.9Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O4896.8Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4861.7Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4871.7Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O4936.8Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4856.5Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O4926.7Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4876.6Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O4782.9Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O4877.7Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4900.9Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O4836.4Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O4834.3Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4861.0Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4793.0Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O4886.1Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4857.0Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O4805.8Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4785.6Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4787.1Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4772.0Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(OC4OCC(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4851.3Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O4788.1Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O4943.2Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O4891.5Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=C(C2=CC=C(O)C(O)=C2)OC2=CC(OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O4815.0Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O4887.4Semi standard non polar33892256
Quercetin 7-xyloside,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OCC(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C4907.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 7-xyloside GC-MS (Non-derivatized) - 70eV, Positivesplash10-106r-9107600000-bcf2c9bd2545032e16c72017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 7-xyloside GC-MS (3 TMS) - 70eV, Positivesplash10-000i-3451139000-82fc3c4d7910cdfc76d92017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 7-xyloside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 7-xyloside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 10V, Positive-QTOFsplash10-0udr-0139800000-cba4bd8f78a855ddde362016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 20V, Positive-QTOFsplash10-0udr-0398100000-f9975e526da8f62bb9a42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 40V, Positive-QTOFsplash10-000i-2982000000-5dbbe15d3ada2c7926612016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 10V, Negative-QTOFsplash10-0f89-1216900000-d7cfa739ee3d6b63d0282016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 20V, Negative-QTOFsplash10-0udi-1239200000-e471481aa020c10656c02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 40V, Negative-QTOFsplash10-0k9x-6593000000-72b5a6cb6c8382cab8812016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 10V, Negative-QTOFsplash10-001i-0000900000-14f714dc58432fa54feb2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 20V, Negative-QTOFsplash10-001i-0033900000-bc1bf516ba25d2e049bd2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 40V, Negative-QTOFsplash10-067i-2594200000-031c2e9a1f576885e93e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 10V, Positive-QTOFsplash10-000i-0000900000-1453f61e7eeaeb92b36b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 20V, Positive-QTOFsplash10-000i-0000900000-02883a9523cad4f7ccf82021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 7-xyloside 40V, Positive-QTOFsplash10-000i-2090400000-99ac2190271b1d60af272021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB017088
KNApSAcK IDC00005380
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound74978193
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .