Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=C(Br)C(=O)C2=CC=CC=C2C1=O)C1=C(C(=O)OC)C2=C(CO1)C(=O)C1=CC=CC=C1C2=O

InChIKey

InChIKey=BXUBZPRWWSXHEN-UHFFFAOYSA-N

Formula

C29H19BrO9

Mass

591.366

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isochromanequinones

Subclass

Benzoisochromanequinones

Intermediate Tree Nodes

Not available

Direct Parent

Benzoisochromanequinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoisochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Naphthalene - Quinone - Aryl ketone - Pyranone - Fatty acid ester - Pyran - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Alpha-haloketone - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Vinylogous halide - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.

External Descriptors

Not available

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