Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1OCCN2[C@H]3C[C@H](O[C@H]4C[C@@](O)(CC5=C(O)C6=C(C(O)=C45)C(=O)C4=C(C=CC=C4OC)C6=O)C(=O)CO)O[C@@H](C)[C@H]3O[C@H]12

InChIKey

InChIKey=SLURUCSFDHKXFR-WWMWMSKMSA-N

Formula

C32H35NO13

Mass

641.626

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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

Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxazinane - Oxane - Morpholine - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Oxazolidine - Hemiaminal - Ketone - Azacycle - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Polyol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Primary alcohol - Alcohol - Organooxygen compound - Organonitrogen 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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