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Structure Information
Structure

Compound Identification

SMILES

CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C23OC12C(=O)C1=C(C=CC=C1O)C3=O.CCC[C@H]1O[C@H](CC(=O)OC)[C@H](O)C2=C1C(=O)C1=C(C=CC=C1O)C2=O

InChIKey

InChIKey=JOMUKFMLAPBGOE-ITJMFZATSA-N

Formula

C37H36O14

Mass

704.681

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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

Not available

Substituents

Benzoisochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Naphthalene - Tetralin - Furopyran - Aryl alkyl ketone - Aryl ketone - Quinone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - 1,4-dioxepane - Dioxepane - Phenol - Pyranone - Pyran - Benzenoid - Monosaccharide - Oxane - Gamma butyrolactone - Furan - Vinylogous acid - Methyl ester - Oxolane - Secondary alcohol - Carboxylic acid ester - Lactone - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - 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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