Hmdb loader

Showing metabocard for Quercetin 3-O-(6''-acetyl-glucoside) (HMDB0029271)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:29:20 UTC
Update Date2022-03-07 02:52:06 UTC
HMDB IDHMDB0029271
Secondary Accession Numbers
  • HMDB29271
Metabolite Identification
Common NameQuercetin 3-O-(6''-acetyl-glucoside)
DescriptionQuercetin 3-O-(6''-acetyl-glucoside) belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Based on a literature review very few articles have been published on Quercetin 3-O-(6''-acetyl-glucoside).
Structure
Data?1582753395
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029271 (Quercetin 3-O-(6''-acetyl-glucoside))


  Mrv0541 02241223292D          

 36 39  0  0  0  0            999 V2000
   -6.2609    1.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9754    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9754    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2609    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5465    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5465    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8320    1.7606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8320    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1175    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1175    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4031    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886    2.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4031    2.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9741    2.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8320   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4031    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6899    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2609   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886    3.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597    2.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1176   -1.9520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -6.2610   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
Download

3D MOL for HMDB0029271 (Quercetin 3-O-(6''-acetyl-glucoside))

HMDB0029271
     RDKit          3D
Quercetin 3-O-(6''-acetyl-glucoside)
 58 61  0  0  0  0  0  0  0  0999 V2000
    6.2930    1.3850   -2.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0713    1.7296   -1.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0606    2.6487   -0.6080 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9456    1.0031   -1.6974 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014    1.1478   -1.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8312    0.8833    0.3926 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6616    0.9920    1.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7681   -0.0716    0.9956 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1465   -0.0306   -0.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1385    0.4362   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1882   -0.3981   -0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1499   -1.8123   -0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0815   -2.6242   -0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3300   -4.6309   -0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3434   -2.4827   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0371    4.1912   -0.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7007    3.7354   -0.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1926   -0.0912    1.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 29 30  2  0
  8 31  1  0
 31 32  1  0
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 35  6  1  0
 29 10  1  0
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  1 37  1  0
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 22 49  1  0
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 27 52  1  0
 31 53  1  6
 32 54  1  0
 33 55  1  1
 34 56  1  0
 35 57  1  6
 36 58  1  0
M  END
Download

3D SDF for HMDB0029271 (Quercetin 3-O-(6''-acetyl-glucoside))


  Mrv0541 02241223292D          

 36 39  0  0  0  0            999 V2000
   -6.2609    1.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9754    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9754    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2609    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5465    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5465    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8320    1.7606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8320    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1175    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1175    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4031    1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886    2.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4031    2.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8320   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4031    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2597    2.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4031   -0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9741   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9741   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4031   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5465   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  8 17  2  0  0  0  0
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  4 20  1  0  0  0  0
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 16 22  1  0  0  0  0
 28 18  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 27 29  1  6  0  0  0
 26 30  1  1  0  0  0
 25 31  1  6  0  0  0
 24 32  1  1  0  0  0
 32 33  1  0  0  0  0
 35 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029271

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1

> <INCHI_KEY>
IGLUNMMNDNWZOA-LNNZMUSMSA-N

> <FORMULA>
C23H22O13

> <MOLECULAR_WEIGHT>
506.413

> <EXACT_MASS>
506.10604079

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
47.552456366351976

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate

> <ALOGPS_LOGP>
1.41

> <JCHEM_LOGP>
0.2962901143333332

> <ALOGPS_LOGS>
-2.55

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.451132689456736

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.433961707794165

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6491028644426606

> <JCHEM_POLAR_SURFACE_AREA>
212.67

> <JCHEM_REFRACTIVITY>
118.42699999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.42e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0029271 (Quercetin 3-O-(6''-acetyl-glucoside))

HMDB0029271
     RDKit          3D
Quercetin 3-O-(6''-acetyl-glucoside)
 58 61  0  0  0  0  0  0  0  0999 V2000
    6.2930    1.3850   -2.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0713    1.7296   -1.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0606    2.6487   -0.6080 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9456    1.0031   -1.6974 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014    1.1478   -1.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8312    0.8833    0.3926 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6616    0.9920    1.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7681   -0.0716    0.9956 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1465   -0.0306   -0.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1385    0.4362   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1882   -0.3981   -0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1499   -1.8123   -0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0815   -2.6242   -0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429   -3.9921   -0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3300   -4.6309   -0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3495   -5.9915   -0.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4255   -3.8428    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6351   -4.4733    0.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3434   -2.4827   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3964    0.1914   -0.6024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5694    1.4753   -0.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8748    1.9415   -0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0613    3.3027   -0.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3508    3.8128   -1.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0371    4.1912   -0.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7007    3.7354   -0.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7124    4.6260   -0.6546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5487    2.3865   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2684    1.8387   -0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2382    2.5399   -0.4317 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4009   -1.3534    1.3196 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7315   -1.9949    2.3436 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8547   -1.0843    1.8073 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4941   -2.2547    2.1034 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4832   -0.4441    0.5965 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8656   -0.3710    0.6882 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1120    1.3302   -3.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391    0.3975   -1.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0755    2.1384   -2.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9535    0.4865   -1.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3545    2.1928   -1.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5515    1.6906    0.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335    0.1819    1.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1598   -2.1829   -0.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457   -4.5597   -0.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1356   -6.5479    0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4448   -3.8676    0.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2589   -1.9174    0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6738    1.2387   -0.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8457    4.0213   -0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1550    5.2673   -0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7479    4.6268   -0.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5489   -2.0256    0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2203   -1.3000    2.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8523   -0.3330    2.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1922   -2.0512    2.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -1.1101   -0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1926   -0.0912    1.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 11 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  2  0
  8 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35  6  1  0
 29 10  1  0
 19 12  1  0
 28 21  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  5 40  1  0
  5 41  1  0
  6 42  1  1
  8 43  1  1
 13 44  1  0
 14 45  1  0
 16 46  1  0
 18 47  1  0
 19 48  1  0
 22 49  1  0
 24 50  1  0
 25 51  1  0
 27 52  1  0
 31 53  1  6
 32 54  1  0
 33 55  1  1
 34 56  1  0
 35 57  1  6
 36 58  1  0
M  END
Download

PDB for HMDB0029271 (Quercetin 3-O-(6''-acetyl-glucoside))

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  C   UNK     0     -11.687   3.286   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -13.021   2.516   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -13.021   0.976   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -11.687   0.206   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.353   0.976   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -10.353   2.516   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -9.020   3.286   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -9.020   0.206   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -7.686   0.976   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.686   2.516   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.352   3.286   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.019   5.596   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.352   4.826   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.019   2.516   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.685   3.286   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.685   4.826   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -9.020  -1.334   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -6.352   0.206   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0     -14.354   3.286   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0     -11.687  -1.334   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.019   7.136   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -2.351   5.596   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -7.686  -2.104   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -7.686  -3.644   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -6.352  -4.414   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.019  -3.644   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.019  -2.104   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -6.352  -1.334   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -3.685  -1.334   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -3.685  -4.414   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -6.352  -5.954   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -9.020  -4.414   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -9.020  -5.954   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0     -10.353  -8.264   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -10.353  -6.724   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0     -11.687  -5.954   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   20                                                  
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5                                                  
CONECT    7    6   10                                                       
CONECT    8    5    9   17                                                  
CONECT    9    8   10   18                                                  
CONECT   10    9    7   11                                                  
CONECT   11   10   13   14                                                  
CONECT   12   13   16   21                                                  
CONECT   13   11   12                                                       
CONECT   14   11   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   12   22                                                  
CONECT   17    8                                                            
CONECT   18    9   28                                                       
CONECT   19    2                                                            
CONECT   20    4                                                            
CONECT   21   12                                                            
CONECT   22   16                                                            
CONECT   23   24   28                                                       
CONECT   24   23   25   32                                                  
CONECT   25   24   26   31                                                  
CONECT   26   25   27   30                                                  
CONECT   27   26   28   29                                                  
CONECT   28   18   27   23                                                  
CONECT   29   27                                                            
CONECT   30   26                                                            
CONECT   31   25                                                            
CONECT   32   24   33                                                       
CONECT   33   32   35                                                       
CONECT   34   35                                                            
CONECT   35   33   34   36                                                  
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   78    0
END
Download

3D PDB for HMDB0029271 (Quercetin 3-O-(6''-acetyl-glucoside))

COMPND    HMDB0029271
HETATM    1  C1  UNL     1       6.293   1.385  -2.245  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.071   1.730  -1.459  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.061   2.649  -0.608  1.00  0.00           O  
HETATM    4  O2  UNL     1       3.946   1.003  -1.697  1.00  0.00           O  
HETATM    5  C3  UNL     1       2.701   1.148  -1.083  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.831   0.883   0.393  1.00  0.00           C  
HETATM    7  O3  UNL     1       1.662   0.992   1.060  1.00  0.00           O  
HETATM    8  C5  UNL     1       0.768  -0.072   0.996  1.00  0.00           C  
HETATM    9  O4  UNL     1       0.146  -0.031  -0.263  1.00  0.00           O  
HETATM   10  C6  UNL     1      -1.138   0.436  -0.417  1.00  0.00           C  
HETATM   11  C7  UNL     1      -2.188  -0.398  -0.476  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.150  -1.812  -0.422  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.081  -2.624  -0.616  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.143  -3.992  -0.486  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.330  -4.631  -0.143  1.00  0.00           C  
HETATM   16  O5  UNL     1      -2.350  -5.992  -0.023  1.00  0.00           O  
HETATM   17  C12 UNL     1      -3.425  -3.843   0.058  1.00  0.00           C  
HETATM   18  O6  UNL     1      -4.635  -4.473   0.402  1.00  0.00           O  
HETATM   19  C13 UNL     1      -3.343  -2.483  -0.075  1.00  0.00           C  
HETATM   20  O7  UNL     1      -3.396   0.191  -0.602  1.00  0.00           O  
HETATM   21  C14 UNL     1      -3.569   1.475  -0.672  1.00  0.00           C  
HETATM   22  C15 UNL     1      -4.875   1.941  -0.806  1.00  0.00           C  
HETATM   23  C16 UNL     1      -5.061   3.303  -0.885  1.00  0.00           C  
HETATM   24  O8  UNL     1      -6.351   3.813  -1.019  1.00  0.00           O  
HETATM   25  C17 UNL     1      -4.037   4.191  -0.838  1.00  0.00           C  
HETATM   26  C18 UNL     1      -2.701   3.735  -0.700  1.00  0.00           C  
HETATM   27  O9  UNL     1      -1.712   4.626  -0.655  1.00  0.00           O  
HETATM   28  C19 UNL     1      -2.549   2.387  -0.625  1.00  0.00           C  
HETATM   29  C20 UNL     1      -1.268   1.839  -0.490  1.00  0.00           C  
HETATM   30  O10 UNL     1      -0.238   2.540  -0.432  1.00  0.00           O  
HETATM   31  C21 UNL     1       1.401  -1.353   1.320  1.00  0.00           C  
HETATM   32  O11 UNL     1       0.732  -1.995   2.344  1.00  0.00           O  
HETATM   33  C22 UNL     1       2.855  -1.084   1.807  1.00  0.00           C  
HETATM   34  O12 UNL     1       3.494  -2.255   2.103  1.00  0.00           O  
HETATM   35  C23 UNL     1       3.483  -0.444   0.597  1.00  0.00           C  
HETATM   36  O13 UNL     1       4.866  -0.371   0.688  1.00  0.00           O  
HETATM   37  H1  UNL     1       6.112   1.330  -3.328  1.00  0.00           H  
HETATM   38  H2  UNL     1       6.639   0.398  -1.898  1.00  0.00           H  
HETATM   39  H3  UNL     1       7.076   2.138  -2.044  1.00  0.00           H  
HETATM   40  H4  UNL     1       1.954   0.487  -1.549  1.00  0.00           H  
HETATM   41  H5  UNL     1       2.355   2.193  -1.187  1.00  0.00           H  
HETATM   42  H6  UNL     1       3.551   1.691   0.776  1.00  0.00           H  
HETATM   43  H7  UNL     1      -0.033   0.182   1.755  1.00  0.00           H  
HETATM   44  H8  UNL     1      -0.160  -2.183  -0.921  1.00  0.00           H  
HETATM   45  H9  UNL     1      -0.246  -4.560  -0.658  1.00  0.00           H  
HETATM   46  H10 UNL     1      -3.136  -6.548   0.229  1.00  0.00           H  
HETATM   47  H11 UNL     1      -5.445  -3.868   0.541  1.00  0.00           H  
HETATM   48  H12 UNL     1      -4.259  -1.917   0.100  1.00  0.00           H  
HETATM   49  H13 UNL     1      -5.674   1.239  -0.842  1.00  0.00           H  
HETATM   50  H14 UNL     1      -6.846   4.021  -0.156  1.00  0.00           H  
HETATM   51  H15 UNL     1      -4.155   5.267  -0.897  1.00  0.00           H  
HETATM   52  H16 UNL     1      -0.748   4.627  -0.545  1.00  0.00           H  
HETATM   53  H17 UNL     1       1.549  -2.026   0.477  1.00  0.00           H  
HETATM   54  H18 UNL     1       0.220  -1.300   2.868  1.00  0.00           H  
HETATM   55  H19 UNL     1       2.852  -0.333   2.619  1.00  0.00           H  
HETATM   56  H20 UNL     1       4.192  -2.051   2.805  1.00  0.00           H  
HETATM   57  H21 UNL     1       3.241  -1.110  -0.293  1.00  0.00           H  
HETATM   58  H22 UNL     1       5.193  -0.091   1.569  1.00  0.00           H  
CONECT    1    2   37   38   39
CONECT    2    3    3    4
CONECT    4    5
CONECT    5    6   40   41
CONECT    6    7   35   42
CONECT    7    8
CONECT    8    9   31   43
CONECT    9   10
CONECT   10   11   11   29
CONECT   11   12   20
CONECT   12   13   13   19
CONECT   13   14   44
CONECT   14   15   15   45
CONECT   15   16   17
CONECT   16   46
CONECT   17   18   19   19
CONECT   18   47
CONECT   19   48
CONECT   20   21
CONECT   21   22   22   28
CONECT   22   23   49
CONECT   23   24   25   25
CONECT   24   50
CONECT   25   26   51
CONECT   26   27   28   28
CONECT   27   52
CONECT   28   29
CONECT   29   30   30
CONECT   31   32   33   53
CONECT   32   54
CONECT   33   34   35   55
CONECT   34   56
CONECT   35   36   57
CONECT   36   58
END
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SMILES for HMDB0029271 (Quercetin 3-O-(6''-acetyl-glucoside))

CC(=O)OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
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INCHI for HMDB0029271 (Quercetin 3-O-(6''-acetyl-glucoside))

InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetic acidHMDB
Chemical FormulaC23H22O13
Average Molecular Weight506.413
Monoisotopic Molecular Weight506.10604079
IUPAC Name[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Traditional Name[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CAS Registry NumberNot Available
SMILES
CC(=O)OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1
InChI KeyIGLUNMMNDNWZOA-LNNZMUSMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-3-o-glycoside
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • Pyranone
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Pyran
  • Monosaccharide
  • Oxane
  • Heteroaromatic compound
  • Vinylogous acid
  • Carboxylic acid ester
  • Secondary alcohol
  • Acetal
  • Monocarboxylic acid or derivatives
  • Polyol
  • Oxacycle
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Organic oxygen compound
  • Organic oxide
  • Carbonyl group
  • Organooxygen compound
  • Hydrocarbon derivative
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.42 g/LALOGPS
logP1.41ALOGPS
logP0.3ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)6.43ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area212.67 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity118.43 m³·mol⁻¹ChemAxon
Polarizability47.55 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+203.02430932474
DeepCCS[M-H]-200.62830932474
DeepCCS[M-2H]-233.82430932474
DeepCCS[M+Na]+208.90230932474
AllCCS[M+H]+213.232859911
AllCCS[M+H-H2O]+211.232859911
AllCCS[M+NH4]+215.132859911
AllCCS[M+Na]+215.632859911
AllCCS[M-H]-211.432859911
AllCCS[M+Na-2H]-212.232859911
AllCCS[M+HCOO]-213.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Quercetin 3-O-(6''-acetyl-glucoside)CC(=O)OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O7099.9Standard polar33892256
Quercetin 3-O-(6''-acetyl-glucoside)CC(=O)OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4210.0Standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside)CC(=O)OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4642.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Quercetin 3-O-(6''-acetyl-glucoside),1TMS,isomer #1CC(=O)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](O)[C@@H]1O4348.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TMS,isomer #2CC(=O)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](O)[C@@H]1O4315.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TMS,isomer #3CC(=O)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](O)[C@@H]1O4304.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TMS,isomer #4CC(=O)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](O)[C@@H]1O4318.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TMS,isomer #5CC(=O)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](O)[C@@H]1O4348.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TMS,isomer #6CC(=O)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](O[Si](C)(C)C)[C@@H]1O4334.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TMS,isomer #7CC(=O)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](O)[C@@H]1O[Si](C)(C)C4335.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #1CC(=O)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](O)[C@@H]1O4201.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #10CC(=O)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](O[Si](C)(C)C)[C@@H]1O4240.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #11CC(=O)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](O)[C@@H]1O[Si](C)(C)C4250.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #12CC(=O)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](O)[C@@H]1O4197.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #13CC(=O)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](O)[C@@H]1O4231.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #14CC(=O)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](O[Si](C)(C)C)[C@@H]1O4215.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #15CC(=O)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](O)[C@@H]1O[Si](C)(C)C4230.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #16CC(=O)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](O)[C@@H]1O4241.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #17CC(=O)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](O[Si](C)(C)C)[C@@H]1O4225.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #18CC(=O)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](O)[C@@H]1O[Si](C)(C)C4242.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #19CC(=O)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](O[Si](C)(C)C)[C@@H]1O4279.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #2CC(=O)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](O)[C@@H]1O4199.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #20CC(=O)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](O)[C@@H]1O[Si](C)(C)C4308.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #21CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4278.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #3CC(=O)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](O)[C@@H]1O4223.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #4CC(=O)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](O)[C@@H]1O4273.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #5CC(=O)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](O[Si](C)(C)C)[C@@H]1O4256.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #6CC(=O)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](O)[C@@H]1O[Si](C)(C)C4270.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #7CC(=O)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](O)[C@@H]1O4192.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #8CC(=O)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](O)[C@@H]1O4188.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TMS,isomer #9CC(=O)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](O)[C@@H]1O4251.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #1CC(=O)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](O)[C@@H]1O4141.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #10CC(=O)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](O)[C@@H]1O4183.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #11CC(=O)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](O[Si](C)(C)C)[C@@H]1O4154.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #12CC(=O)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](O)[C@@H]1O[Si](C)(C)C4187.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #13CC(=O)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](O[Si](C)(C)C)[C@@H]1O4239.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #14CC(=O)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](O)[C@@H]1O[Si](C)(C)C4272.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #15CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4242.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #16CC(=O)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](O)[C@@H]1O4118.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #17CC(=O)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](O)[C@@H]1O4135.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #18CC(=O)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](O[Si](C)(C)C)[C@@H]1O4114.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #19CC(=O)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](O)[C@@H]1O[Si](C)(C)C4141.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #2CC(=O)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](O)[C@@H]1O4158.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #20CC(=O)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](O)[C@@H]1O4128.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #21CC(=O)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](O[Si](C)(C)C)[C@@H]1O4104.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #22CC(=O)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](O)[C@@H]1O[Si](C)(C)C4135.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #23CC(=O)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](O[Si](C)(C)C)[C@@H]1O4216.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #24CC(=O)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](O)[C@@H]1O[Si](C)(C)C4249.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #25CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4220.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #26CC(=O)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](O)[C@@H]1O4180.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #27CC(=O)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](O[Si](C)(C)C)[C@@H]1O4154.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #28CC(=O)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](O)[C@@H]1O[Si](C)(C)C4185.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #29CC(=O)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](O[Si](C)(C)C)[C@@H]1O4185.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #3CC(=O)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](O)[C@@H]1O4149.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #30CC(=O)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](O)[C@@H]1O[Si](C)(C)C4217.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #31CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4188.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #32CC(=O)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](O[Si](C)(C)C)[C@@H]1O4192.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #33CC(=O)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](O)[C@@H]1O[Si](C)(C)C4225.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #34CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4195.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #35CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4282.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #4CC(=O)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](O[Si](C)(C)C)[C@@H]1O4125.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #5CC(=O)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](O)[C@@H]1O[Si](C)(C)C4156.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #6CC(=O)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](O)[C@@H]1O4155.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #7CC(=O)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](O)[C@@H]1O4145.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #8CC(=O)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](O[Si](C)(C)C)[C@@H]1O4121.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TMS,isomer #9CC(=O)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](O)[C@@H]1O[Si](C)(C)C4154.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #1CC(=O)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](O)[C@@H]1O4124.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #10CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4126.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #11CC(=O)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](O)[C@@H]1O4124.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #12CC(=O)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](O[Si](C)(C)C)[C@@H]1O4116.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #13CC(=O)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](O)[C@@H]1O[Si](C)(C)C4137.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #14CC(=O)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](O[Si](C)(C)C)[C@@H]1O4117.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #15CC(=O)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](O)[C@@H]1O[Si](C)(C)C4134.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #16CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4119.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #17CC(=O)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](O[Si](C)(C)C)[C@@H]1O4146.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #18CC(=O)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](O)[C@@H]1O[Si](C)(C)C4162.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #19CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4146.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #2CC(=O)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](O)[C@@H]1O4126.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #20CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4257.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #21CC(=O)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](O)[C@@H]1O4102.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #22CC(=O)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](O[Si](C)(C)C)[C@@H]1O4075.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #23CC(=O)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](O)[C@@H]1O[Si](C)(C)C4114.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #24CC(=O)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](O[Si](C)(C)C)[C@@H]1O4110.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #25CC(=O)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](O)[C@@H]1O[Si](C)(C)C4127.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #26CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4109.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #27CC(=O)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](O[Si](C)(C)C)[C@@H]1O4099.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #28CC(=O)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](O)[C@@H]1O[Si](C)(C)C4113.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #29CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4097.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #3CC(=O)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](O[Si](C)(C)C)[C@@H]1O4097.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #30CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4231.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #31CC(=O)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](O[Si](C)(C)C)[C@@H]1O4152.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #32CC(=O)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](O)[C@@H]1O[Si](C)(C)C4170.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #33CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4152.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #34CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4185.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #35CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4191.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #4CC(=O)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](O)[C@@H]1O[Si](C)(C)C4137.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #5CC(=O)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](O)[C@@H]1O4126.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #6CC(=O)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](O[Si](C)(C)C)[C@@H]1O4120.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #7CC(=O)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](O)[C@@H]1O[Si](C)(C)C4141.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #8CC(=O)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](O[Si](C)(C)C)[C@@H]1O4124.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),4TMS,isomer #9CC(=O)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](O)[C@@H]1O[Si](C)(C)C4143.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #1CC(=O)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](O)[C@@H]1O4122.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #10CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4146.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #11CC(=O)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](O[Si](C)(C)C)[C@@H]1O4125.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #12CC(=O)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](O)[C@@H]1O[Si](C)(C)C4135.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #13CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4139.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #14CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4140.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #15CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4154.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #16CC(=O)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](O[Si](C)(C)C)[C@@H]1O4104.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #17CC(=O)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](O)[C@@H]1O[Si](C)(C)C4107.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #18CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4104.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #19CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4127.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #2CC(=O)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](O[Si](C)(C)C)[C@@H]1O4117.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #20CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4115.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #21CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4172.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #3CC(=O)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](O)[C@@H]1O[Si](C)(C)C4134.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #4CC(=O)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](O[Si](C)(C)C)[C@@H]1O4125.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #5CC(=O)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](O)[C@@H]1O[Si](C)(C)C4128.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #6CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4124.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #7CC(=O)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](O[Si](C)(C)C)[C@@H]1O4122.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #8CC(=O)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](O)[C@@H]1O[Si](C)(C)C4133.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),5TMS,isomer #9CC(=O)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](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4139.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TBDMS,isomer #1CC(=O)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](O)[C@@H]1O4587.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TBDMS,isomer #2CC(=O)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](O)[C@@H]1O4567.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TBDMS,isomer #3CC(=O)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](O)[C@@H]1O4542.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TBDMS,isomer #4CC(=O)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](O)[C@@H]1O4563.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TBDMS,isomer #5CC(=O)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](O)[C@@H]1O4584.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TBDMS,isomer #6CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4569.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),1TBDMS,isomer #7CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4578.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #1CC(=O)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](O)[C@@H]1O4685.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #10CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4663.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #11CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4682.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #12CC(=O)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](O)[C@@H]1O4648.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #13CC(=O)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](O)[C@@H]1O4651.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #14CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4631.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #15CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4646.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #16CC(=O)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](O)[C@@H]1O4673.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #17CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4651.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #18CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4668.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #19CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4710.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #2CC(=O)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](O)[C@@H]1O4664.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #20CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4730.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #21CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4713.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #3CC(=O)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](O)[C@@H]1O4674.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #4CC(=O)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](O)[C@@H]1O4710.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #5CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4683.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #6CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4701.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #7CC(=O)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](O)[C@@H]1O4670.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #8CC(=O)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](O)[C@@H]1O4647.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),2TBDMS,isomer #9CC(=O)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](O)[C@@H]1O4687.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #1CC(=O)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](O)[C@@H]1O4787.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #10CC(=O)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](O)[C@@H]1O4765.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #11CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4736.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #12CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4765.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #13CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4794.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #14CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4818.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #15CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4793.1Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #16CC(=O)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](O)[C@@H]1O4769.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #17CC(=O)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](O)[C@@H]1O4777.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #18CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4765.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #19CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4782.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #2CC(=O)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](O)[C@@H]1O4856.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #20CC(=O)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](O)[C@@H]1O4746.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #21CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4732.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #22CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4748.8Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #23CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4763.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #24CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4785.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #25CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4762.4Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #26CC(=O)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](O)[C@@H]1O4752.6Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #27CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4728.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #28CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4751.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #29CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4738.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #3CC(=O)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](O)[C@@H]1O4802.0Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #30CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4759.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #31CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4739.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #32CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4754.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #33CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4776.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #34CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4756.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #35CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4849.5Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #4CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4790.7Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #5CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4809.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #6CC(=O)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](O)[C@@H]1O4828.3Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #7CC(=O)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](O)[C@@H]1O4772.2Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #8CC(=O)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](O[Si](C)(C)C(C)(C)C)[C@@H]1O4759.9Semi standard non polar33892256
Quercetin 3-O-(6''-acetyl-glucoside),3TBDMS,isomer #9CC(=O)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](O)[C@@H]1O[Si](C)(C)C(C)(C)C4779.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4s-9302600000-f494fa13550b7ba618ef2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) GC-MS (2 TMS) - 70eV, Positivesplash10-052r-9520047000-be8db173dfe4b509c5712017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) LC-ESI-QTOF , negative-QTOFsplash10-0pb9-0179080000-893dce9eb365ba4330d92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) LC-ESI-QTOF , negative-QTOFsplash10-0udi-0039000000-576c84df226acfd679892017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) LC-ESI-QTOF , negative-QTOFsplash10-0zfr-0189050000-99ff36e8b7f3dfedfb222017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) , negative-QTOFsplash10-0zfr-0129050000-071eda39cbc653bbf1822017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) LC-ESI-QTOF , positive-QTOFsplash10-0udi-1109000000-ab4ef7eca831d1e155812017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) LC-ESI-QTOF , positive-QTOFsplash10-0udi-0109000000-2c965766e1a3667711362017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) LC-ESI-QTOF , positive-QTOFsplash10-004i-0000090000-835533c37092cdd5a4782017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) LC-ESI-QTOF , positive-QTOFsplash10-0udi-0109000000-79e85233b63391e3328d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) , positive-QTOFsplash10-0udi-0109000000-761328e7861e6e42eb902017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) LC-ESI-QFT 35V, positive-QTOFsplash10-0w29-0008900000-74b57ea926b2831a90542020-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) LC-ESI-IT 35V, positive-QTOFsplash10-0udi-0009000000-08f7145a51756ad1bd112020-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 10V, Positive-QTOFsplash10-0zfr-0009060000-79d75afd891bd98806bc2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 50V, Positive-QTOFsplash10-0udi-1955000000-574c8ba3771ace68e8562021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 6V, Positive-QTOFsplash10-0udi-0009010000-eef85e84298e125426742021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 6V, Positive-QTOFsplash10-0udi-0009000000-e1136a1b981a5ad9fc842021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 6V, Positive-QTOFsplash10-0zfr-0009060000-18a41b2abdfb473098b72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 6V, Positive-QTOFsplash10-0udi-0109000000-47430897fecd5f12f9f22021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 6V, Positive-QTOFsplash10-0udi-0109000000-066b2169ca66c256c5422021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 6V, Positive-QTOFsplash10-0zfr-0009060000-532d9c6b75c9a4a18d622021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 10V, Positive-QTOFsplash10-0udr-1149640000-c1313c5360ec5da39a1f2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 20V, Positive-QTOFsplash10-0udi-0159100000-e0f4e542e46e6e1ee2912016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 40V, Positive-QTOFsplash10-0f79-4973000000-b125d734b77e8341a9de2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 10V, Negative-QTOFsplash10-0a4i-9114240000-c977b3f39380a79fc2762016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 20V, Negative-QTOFsplash10-0pb9-9125100000-0c6a6d365f4c0678d51a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Quercetin 3-O-(6''-acetyl-glucoside) 40V, Negative-QTOFsplash10-0a4i-9442000000-7460548152f3aad22c882016-08-03Wishart 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 ID373
FooDB IDFDB000205
KNApSAcK IDNot Available
Chemspider ID8181964
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10006384
PDB IDNot Available
ChEBI ID520709
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. Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]