Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1=CC2=C(C=C1)C1=C(O2)C2=C(OC1=O)C=C(OC(C)=O)C=C2

InChIKey

InChIKey=AHOLUZZXIVWXQQ-UHFFFAOYSA-N

Formula

C19H12O7

Mass

352.298

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Coumestans

Intermediate Tree Nodes

Not available

Direct Parent

Coumestans

Alternative Parents

Angular furanocoumarins 1-benzopyrans Furopyrans Benzofurans Pyranones and derivatives Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Furans Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumestan - Angular furanocoumarin - Furanocoumarin - Coumarin - Benzopyran - 1-benzopyran - Benzofuran - Furopyran - Pyranone - Dicarboxylic acid or derivatives - Benzenoid - Pyran - Furan - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumestans. These are polycyclic aromatic compounds containing a coumestan moiety, which consists of a benzoxole fused to a chromen-2-one to form 1-Benzoxolo[3,2-c]chromen-6-one. They are oxidation products of pterocarpan.

External Descriptors

CHEBI:79614 : acetate ester - delta-lactone - coumestans

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