Structure Information
Structure

Compound Identification

SMILES

[H][C@]1(N)C[C@]([H])(O[C@@]2([H])C[C@](O)(CC)[C@]([H])(C(O)=O)C3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2O)C4=O)O[C@@]([H])(C)[C@@]1([H])O

InChIKey

InChIKey=MMYTYGXIKKVLES-AGMCFEMXSA-N

Formula

C27H29NO11

Mass

543.525

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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 - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid - 1-naphthalenecarboxylic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Tertiary alcohol - Amino acid or derivatives - Secondary alcohol - Amino acid - Ketone - 1,2-aminoalcohol - Acetal - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Amine - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - 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

CHEBI:31047 : quinone - monosaccharide derivative - anthracycline antibiotic - aminoglycoside - deoxy hexoside - 2-hydroxy monocarboxylic acid

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