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)COC(=O)CCCCC(O)=O)C2=O

InChIKey

InChIKey=WWEOUUXDYBGPLE-UHFFFAOYSA-N

Formula

C35H36F3NO15

Mass

767.66

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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 - Alpha-acyloxy ketone - Fatty acid ester - Alkyl aryl ether - Benzenoid - Monosaccharide - Fatty acyl - Dicarboxylic acid or derivatives - Oxane - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Carboxamide group - Carboxylic acid ester - Ketone - Secondary alcohol - Secondary carboxylic acid amide - Acetal - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organofluoride - Alkyl fluoride - Organohalogen compound - Alkyl halide - Aldehyde - 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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