Structure Information
Structure

Compound Identification

SMILES

OCC1OC(O)C(OC2=C(O)C3=C(C=C2)C(=O)C2=CC=CC=C2C3=O)C(O)C1O

InChIKey

InChIKey=QWAIGXQWLALUHA-UHFFFAOYSA-N

Formula

C20H18O9

Mass

402.355

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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

Hexoses Phenol ethers Aryl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Oxanes Vinylogous acids Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

9,10-anthraquinone - Anthraquinone - Hexose monosaccharide - Aryl ketone - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monosaccharide - Oxane - Vinylogous acid - Secondary alcohol - Ketone - Hemiacetal - Organoheterocyclic compound - Oxacycle - Ether - Polyol - Primary alcohol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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

META CYC (1-HYDROXY-2-BETA-D-GLUCOSYLOXY-910-AN) : a small molecule

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