Structure Information
Structure

Compound Identification

SMILES

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2[C@@H]3C[C@H](OC(=O)C(Cl)(Cl)Cl)O[C@@H]3OC2=C1

InChIKey

InChIKey=PHAMSUGDDUOCMC-FLMXLMKFSA-N

Formula

C19H13Cl3O8

Mass

475.66

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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 - Difurocoumarin - 1-benzopyran - Benzopyran - Coumaran - Aryl alkyl ketone - Aryl ketone - Furofuran - Anisole - Pyranone - Fatty acid ester - Dihydropyranone - Beta-keto acid - Alkyl aryl ether - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyran - Keto acid - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Enone - Enol ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Acryloyl-group - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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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