Coumestrol

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Systematic / IUPAC Name: 3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one

ID: Reference5867

Other Names: 6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihdyroxy- ;
Coumesterol;
Cumoesterol;
Cumoestrol;
Cumostrol ; more

Formula: C15H8O5

Class: Endogenous Metabolites

Spectral Data

Coumestrol 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 10/31/2016 11:53:28 AM
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Identificators

InChI InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChI Key ZZIALNLLNHEQPJ-UHFFFAOYSA-N
Canonical SMILES C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O
CAS 479130
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Other Names 6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihdyroxy- ;
Coumesterol;
Cumoesterol;
Cumoestrol;
Cumostrol;
3,9-Dihydroxy-[1]benzofuro[3,2-c]chromen-6-one;
3,9-Dihydroxy-[1]benzoxolo[3,2-c]chromen-6-one;
3,9-Dihydroxy-benzo[4,5]furo[3,2-c]chromen-6-one;
3,9-Dihydroxybenzo[d]chromeno[4,3-b]furan-6-one ;
3,9-Dihydroxycoumestan;
3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy, δ-lactone;
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-;
7,12-Dihydroxycoumestan

In Other Databases

KEGG C10205
ChemSpider 4445024
PubChem 5281707
ChEMBL CHEMBL30707
Wikipedia Coumestrol
ChEBI CHEBI:3908
ChemIDPlus 000479130
HMDb HMDB02326