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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]1OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=BTPOVHZAMVFQOV-IHFMCEPISA-N

Formula

C34H28F3NO8

Mass

635.592

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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 - Benzoate ester - Naphthalene - Benzoic acid or derivatives - Benzoyl - Quinone - Aryl ketone - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Oxane - Monosaccharide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Organofluoride - Organic nitrogen compound - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Alkyl halide - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organohalogen 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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