Biochanin A

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Systematic / IUPAC Name: 5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one

ID: Reference6226

Other Names: Biochanin;
Biochanin-A;
Biochanine A;
Olmelin;
Pratensol ; more

Formula: C16H12O5

Class: Endogenous Metabolites

Spectral Data

Biochanin A 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 418
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/19/2017 7:32:15 AM
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Identificators

InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
InChI Key WUADCCWRTIWANL-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
CAS 491805
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Other Names Biochanin;
Biochanin-A;
Biochanine A;
Olmelin;
Pratensol;
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-;
4'-Methoxy-5,7-dihydroxy isoflavone;
4'-Methylgenistein;
4-Methylgenistein;
5,7-Dihydrox-4'-methoxyisoflavone;
5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one;
5,7-Dihydroxy-3-(4-methoxyphenyl)chromen-4-one;
5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one;
5,7-Dihydroxy-4'-methoxyisoflavone;
Genistein 4'-methyl ether;
Genistein 4-methyl ether;
Isoflavone, 5,7-dihydroxy-4'-methoxy-

In Other Databases

HMDb HMDB02338
PubChem 5280373
KEGG C00814
ChEMBL CHEMBL131921
ChEBI CHEBI:17574
Wikipedia Biochanin A
ChemIDPlus 000491805
ChemSpider 4444068