Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](OC2=CC=CC3=C2C(=O)C2=C(C=C(C=C2O)C(O)=O)[C@@H]3[C@@H]2C3=C(C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3)C(=O)C3=C2C=C(C=C3O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=IPQVTOJGNYVQEO-KGFNBKMBSA-N

Formula

C42H38O20

Mass

862.746

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Anthracenes

Subclass

Anthracenecarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Anthracenecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthracene carboxylic acid - Phenolic glycoside - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Hydroxybenzoic acid - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Vinylogous acid - Ketone - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxide - Hydrocarbon derivative - Alcohol - Primary alcohol - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.

External Descriptors

CHEBI:9112 : oxo dicarboxylic acid - sennosides
LIPIDMAPS (LMPK13040016) : Anthracenes and phenanthrenes
KEGG (C10404) : Polyketides - Anthracenes and phenanthrenes - Anthrone type

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