Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=CC=CC=C1C3=O

InChIKey

InChIKey=YWQHMXVSCZZXBO-QXKPATRESA-N

Formula

C35H40F3NO10

Mass

691.697

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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 - Monosaccharide - Oxane - Benzenoid - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Oxacycle - Aldehyde - Organohalogen compound - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen 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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