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Substance Name: Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside
RN: 96862-01-0
UNII: 665V8QQD5I
InChIKey: NBQPHANHNTWDML-UJKBSQBPSA-N

Molecular Formula

  • C24-H22-O15

Molecular Weight

  • 550.4228
 
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Names and Synonyms

Name of Substance

  • Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside

Synonyms

  • 4H-1-Benzopyran-4-one, 3-((6-O-(2-carboxyacetyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • Quercetin 3-O-(6''-malonylglucoside)
  • Quercetin 3-O-(6''-o-malonyl)-beta-D-glucoside
  • Quercetin 3-O-(6-o-malonyl)-beta-D-glucoside
  • Quercetin 3-o-beta-D-(6''-o-malonyl)-glucoside
  • UNII-665V8QQD5I

Registry Numbers

CAS Registry Number

  • 96862-01-0

FDA UNII

  • 665V8QQD5I

System Generated Number

  • 0096862010

Structure Descriptors

InChI

1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1

InChIKey

NBQPHANHNTWDML-UJKBSQBPSA-N

Smiles

O[C@H]1[C@H](O)[C@@H](COC(=O)CC(=O)O)O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@@H]1O