Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(NC(=O)C(F)(F)F)C(O)C(C)O4)C3=C1O)C(=O)CO)C2=O

InChIKey

InChIKey=RQIOYWADAKTIJC-UHFFFAOYSA-N

Formula

C29H28F3NO12

Mass

639.533

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Anthracyclines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Anthracyclines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxane - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Ketone - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Ether - Oxacycle - Polyol - Hydrocarbon derivative - Carbonyl group - Alcohol - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Primary alcohol - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.

External Descriptors

Not available

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