(R)-Equol

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Systematic / IUPAC Name: (3R)-3-(4-Hydroxyphenyl)-7-chromanol

ID: Reference5829

Other Names: Equol;
Equol, (+)-;
Isoequol;
(R)-3-(4-Hydroxyphenyl)chroman-7-ol;
(3R)-3-(4-Hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol ; more

Formula: C15H14O3

Class: Endogenous Metabolites

Spectral Data

(R)-Equol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/26/2016 9:27:28 AM
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Identificators

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
InChI Key ADFCQWZHKCXPAJ-LBPRGKRZSA-N
Canonical SMILES C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
CAS 221054791
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Other Names Equol;
Equol, (+)-;
Isoequol;
(R)-3-(4-Hydroxyphenyl)chroman-7-ol;
(3R)-3-(4-Hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;
2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3R)-;
(+)-Equol

In Other Databases

Wikipedia Equol
ChEMBL CHEMBL3127843
ChemSpider 5323218
PubChem 6950272