Structure Information
Structure

Compound Identification

SMILES

OC1=CC=CC2=C1C(=O)C1=C([C@H]3OC(=O)C[C@H]3O[C@H]1C1=CC=CC=C1)C2=O

InChIKey

InChIKey=ISORSHVZABFYOD-UBWHGVKJSA-N

Formula

C21H14O6

Mass

362.337

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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 - Furopyran - Quinone - Aryl ketone - Pyranone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyran - Gamma butyrolactone - Vinylogous acid - Oxolane - Furan - Carboxylic acid ester - Ketone - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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