Structure Information
Structure

Compound Identification

SMILES

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2[C@@H]3[C@@H](O)C(O[C@@H]3OC2=C1)N(C=O)C1=C(N)NC(N)=NC1=O

InChIKey

InChIKey=YTANVFIRTSKBOF-MHKTTXRSSA-N

Formula

C22H19N5O9

Mass

497.42

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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 ketone - Aryl alkyl ketone - Anisole - Pyrimidone - Aminopyrimidine - Pyranone - Alkyl aryl ether - Hydropyrimidine - Pyran - Pyrimidine - Primary aromatic amine - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Oxolane - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Ketone - Lactone - Secondary alcohol - Organoheterocyclic compound - Acetal - Azacycle - Ether - Oxacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - 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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