CHEBI:156169 - (R)-Equol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (R)-Equol
ChEBI ID CHEBI:156169
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C15H14O3
Net Charge 0
Average Mass 242.274
Monoisotopic Mass 242.09429
InChI InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m0/s1
InChIKey ADFCQWZHKCXPAJ-LBPRGKRZSA-N
SMILES O1C[C@H](CC2=C1C=C(O)C=C2)C3=CC=C(O)C=C3
ChEBI Ontology
Outgoing (R)-Equol (CHEBI:156169) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name
(3R)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol