Structure Information
Structure

Compound Identification

SMILES

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2[C@H]3[C@H](OC(Cl)=C3Cl)OC2=C1

InChIKey

InChIKey=TWAYMZIMOFMBAE-PXAZEXFGSA-N

Formula

C17H10Cl2O6

Mass

381.16

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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 - 1-benzopyran - Benzopyran - Coumaran - Aryl alkyl ketone - Aryl ketone - Anisole - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Heteroaromatic compound - Dihydrofuran - Lactone - Ketone - Oxacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Ether - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen 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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