Chemical Compound

Equol 7-O-glucuronide

Equol 7-O-glucuronide chemical structure
Primary Record

Equol 7-O-glucuronide

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
29979359
SMILES
C1[C@H](COC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=C(C=C4)O
Canonical SMILES
O=C(O)[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@H](c2ccc(O)cc2)C3)[C@H](O)[C@@H](O)[C@@H]1O

Names & Synonyms

  • Equol 7-O-glucuronide
  • S-Equol7-glucuronide
  • RefChem:339634
  • CHEBI:188397
  • DTXSID201341645
  • ZINC22058370
  • J3.487.136A
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid
  • (3S)-7-(beta-D-Glucopyranuronosyloxy)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(((3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl)oxy)oxane-2-carboxylic acid
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid