Structure Information
Structure

Compound Identification

SMILES

COC1=[14C]2C3=[14C](C(=O)[14CH2]C3)C(=O)OC2=[14C]2[14C@@H]3C=[14CH]O[C@@H]3OC2=[14CH]1

InChIKey

InChIKey=OQIQSTLJSLGHID-GEXNOBAGSA-N

Formula

C17H12O6

Mass

326.223

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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 ketone - Aryl alkyl ketone - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Dihydrofuran - Lactone - Ketone - Ether - Acetal - Oxacycle - Organoheterocyclic compound - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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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