Structure Information
Structure

Compound Identification

SMILES

O[C@@]12COC3=C(C=CC4=C3OCO4)[C@@H]1OC1=CC3=C(OCO3)C=C21

InChIKey

InChIKey=OOCFJEXFOZXGCV-DLBZAZTESA-N

Formula

C17H12O7

Mass

328.276

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Furanoisoflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

Pterocarpans

Alternative Parents

Isoflavanols 1-benzopyrans Coumarans Benzofurans Benzodioxoles Alkyl aryl ethers Benzenoids Tertiary alcohols Oxacyclic compounds Acetals Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavanol - Pterocarpan - Isoflavan - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Benzofuran - Coumaran - Alkyl aryl ether - Benzenoid - Tertiary alcohol - Oxacycle - Ether - Acetal - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.

External Descriptors

CHEBI:73 : pterocarpans
LIPIDMAPS (LMPK12070127) : Pterocarpans
KEGG (C10198) : pterocarpans - Pterocarpanes

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