Formononetin

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Systematic / IUPAC Name: 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one

ID: Reference426

Other Names: 7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one;
4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-;
7-Hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one;
Biochanin B;
Formononetol

Formula: C16H12O4

Class: Endogenous Metabolites

Spectral Data

Formononetin 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 LTQ Orbitrap XL; Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 7
No. of Spectra 1722
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; APCI; NSI
Analyzers FT
Last Modification 1/19/2015 12:01:50 PM
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Identificators

InChI InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
InChI Key HKQYGTCOTHHOMP-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
CAS 485723
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Other Names 7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one;
4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-;
7-Hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one;
Biochanin B;
Formononetol

In Other Databases

ChEBI CHEBI:18088
KEGG C00858
HMDb HMDB05808
ChemSpider 4444070
ChemIDPlus 000485723
PubChem 5280378
ChEMBL CHEMBL242341
Wikipedia Formononetin