Structure Information
Structure

Compound Identification

SMILES

COC1=C2C=C(O)C=C3C(=O)C=C4C5=C(C=CC=C5O)C(O)=C(C1=O)C4=C23

InChIKey

InChIKey=VNGWJTJZYUSNNL-UHFFFAOYSA-N

Formula

C21H12O6

Mass

360.321

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Pyrenes

Subclass

Benzopyrenes

Intermediate Tree Nodes

Not available

Direct Parent

Benzopyrenes

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Benzo-a-pyrene - Chrysene - Phenanthrol - Anthracene - Phenanthrene - 1-naphthol - 2-naphthol - Phenol ether - Anisole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Vinylogous acid - Polyol - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.

External Descriptors

Not available

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