Equol

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Systematic / IUPAC Name: 3-(4-Hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol

ID: Reference1363

Other Names: 3-(4-Hydroxyphenyl)chroman-7-ol;
3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol;
2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-;
(R,S)-Equol;
(±)-Equol

Formula: C15H14O3

Class: Endogenous Metabolites

Spectral Data

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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 145
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 8:06:42 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
InChI Key ADFCQWZHKCXPAJ-UHFFFAOYSA-N
Canonical SMILES C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
CAS 66036382
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Other Names 3-(4-Hydroxyphenyl)chroman-7-ol;
3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol;
2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-;
(R,S)-Equol;
(±)-Equol;
Rac-Equol

In Other Databases

ChEMBL CHEMBL1957037
ChemSpider 339332
Wikipedia Equol
PubChem 382975