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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)[C@@]24O[C@]2(C3=O)C(=O)C2=CC=CC=C2C4=O)C[C@H](NC(=O)C(F)(F)F)[C@@H]1OC(=O)C1=CC=CC=C1

InChIKey

InChIKey=OYLUKSIRABBAIS-YZPNQNJSSA-N

Formula

C34H28F3NO9

Mass

651.591

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