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Structure Information
Structure

Compound Identification

SMILES

C[C@H]1O[C@@H](C[C@@H]2C=CC[C@@H]3[C@H]2C(=O)C2=C(C3=O)C(=O)C3=CC=CC=C3C2=O)C[C@H](NC(=O)C(F)(F)F)[C@H]1O

InChIKey

InChIKey=LXWWDMIKISJWRE-LXPOUCPTSA-N

Formula

C27H24F3NO7

Mass

531.484

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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 - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Naphthalene - Aryl ketone - Quinone - Cyclohexenone - Monosaccharide - Oxane - Benzenoid - Carboxamide group - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Ether - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alkyl halide - 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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