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Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC2=C1C(=O)C1=C(C(O)C3=C([C@@H](C[C@@H]4C[C@H](N)[C@@H](O)[C@H](C)O4)C[C@](O)(C3)C(\C)=N\NC(=O)C3=CC=CC=C3)C1O)C2=O

InChIKey

InChIKey=XKUPFLHXCJDOQF-ANRFSBFLSA-N

Formula

C35H39N3O9

Mass

645.709

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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 - Benzoic acid or derivatives - Anisole - Aryl ketone - Benzoyl - Quinone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Tertiary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Dialkyl ether - Ether - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary amine - Amine - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - 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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