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)C1CO1)C2=O

InChIKey

InChIKey=IPOCIXQTDOHNMZ-UHFFFAOYSA-N

Formula

C29H28F3NO11

Mass

623.534

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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

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