Structure Information
Structure

Compound Identification

SMILES

COC1=C2C3=C(C(=O)C[C@@H]3OC(=O)CCC(O)=O)C(=O)OC2=C2[C@H]3C=CO[C@@H]3OC2=C1

InChIKey

InChIKey=VKKLXWDQQNCHAY-KJLUZHGOSA-N

Formula

C21H16O10

Mass

428.349

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Furanocoumarins

Intermediate Tree Nodes

Angular furanocoumarins - Aflatoxins

Direct Parent

Difurocoumarocyclopentenones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Difurocoumarocyclopentenone - Benzopyran - 1-benzopyran - Coumaran - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyranone - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Dihydrofuran - Carboxylic acid ester - Lactone - Ketone - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Acetal - Carboxylic acid derivative - Ether - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aldehyde - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as difurocoumarocyclopentenones. These are polycyclic aromatic compounds containing a cyclopenten-2-one ring fused to the coumarin moiety of the difurocoumarin skeleton.

External Descriptors

Not available

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