Structure Information
Structure

Compound Identification

SMILES

[H][C@@]1(C[C@@]2([H])C3=C(O[C@@]2([H])O1)C=C(OC)C1=C3OC(=O)C2=C1CCC2=O)OC(=O)CCC(=O)OC

InChIKey

InChIKey=CAGNOTWUQAZYDJ-QKIXJAJISA-N

Formula

C22H20O10

Mass

444.392

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