Structure Information
Structure

Compound Identification

SMILES

[H][C@]1(O)CC2=C(C1=O)C(=O)OC1=C2C(OC)=CC2=C1[C@]1([H])C=CO[C@]1([H])O2

InChIKey

InChIKey=JUJRETIUKMEFIA-ZCIGJURXSA-N

Formula

C17H12O7

Mass

328.276

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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 - Pyran - Benzenoid - Dihydrofuran - Heteroaromatic compound - Secondary alcohol - Lactone - Ketone - Acetal - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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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