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Structure Information
Structure

Compound Identification

SMILES

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2[C@@H]3[C@@H](O)[C@@H](O[C@@H]3OC2=C1)N1C=NC2=C1C(=O)N=C(N)N2

InChIKey

InChIKey=XIOUDSNTNJNQQG-CKJDJMSUSA-N

Formula

C22H17N5O8

Mass

479.405

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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 - 6-oxopurine - Benzopyran - Hypoxanthine - 1-benzopyran - Coumaran - Imidazopyrimidine - Purine - Anisole - Aryl ketone - Aryl alkyl ketone - Aminopyrimidine - Pyranone - Pyrimidone - Alkyl aryl ether - N-substituted imidazole - Pyrimidine - Pyran - Primary aromatic amine - Benzenoid - Azole - Oxolane - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactone - Ketone - Secondary alcohol - Organoheterocyclic compound - Acetal - Azacycle - Oxacycle - Ether - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Aldehyde - Amine - Organic oxide - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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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