Structure Information
Structure

Compound Identification

SMILES

[Cl-].C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)C1=C(O)C=C3C([C@H]4C[C@H]([C@H](O)[C@]3(C)O4)[NH+](C)C)=C1C2=O

InChIKey

InChIKey=PJQXHFQQRQLCDQ-GGFLUZQKSA-N

Formula

C24H26ClNO8

Mass

491.92

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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 - Isocoumaran - Quinone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aralkylamine - Oxane - Pyran - Benzenoid - Gamma butyrolactone - Furan - Vinylogous acid - Oxolane - Quaternary ammonium salt - Secondary alcohol - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Lactone - Ketone - 1,2-aminoalcohol - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Amine - Organic salt - 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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