Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C2=C(CC(CO2)C2=CC(=O)C=C(O)C2=O)C=C1

InChIKey

InChIKey=ZPNCZRGNATWPGL-UHFFFAOYSA-N

Formula

C17H16O6

Mass

316.309

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflavanquinones

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavanquinones

Alternative Parents

Isoflavans 1-benzopyrans P-benzoquinones Anisoles Alkyl aryl ethers Vinylogous acids Oxacyclic compounds Enols Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavanquinone - Isoflavan - Chromane - Benzopyran - 1-benzopyran - Anisole - Quinone - P-benzoquinone - Alkyl aryl ether - Benzenoid - Vinylogous acid - Ketone - Cyclic ketone - Organoheterocyclic compound - Oxacycle - Enol - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavanquinones. These are isoflavans where the phenyl group carries two C=O groups at position 1 and 4, respectively.

External Descriptors

Not available

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