Structure Information
Structure

Compound Identification

SMILES

CC1=CC(O)=C2C(=O)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(OS(O)(=O)=O)C=C3C(=O)C2=C1

InChIKey

InChIKey=YJQCYRDCKZTEMM-JNHRPPPUSA-N

Formula

C21H20O13S

Mass

512.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Anthracenes

Subclass

Anthraquinones

Intermediate Tree Nodes

Not available

Direct Parent

Anthraquinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

9,10-anthraquinone - Anthraquinone - Phenolic glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Arylsulfate - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Oxane - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Monosaccharide - Organic sulfuric acid or derivatives - Vinylogous acid - Ketone - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Aldehyde - Primary alcohol - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.

External Descriptors

Not available

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