Structure Information
Structure

Compound Identification

SMILES

COS(=O)(=O)O[C@H]1[C@@H](C)O[C@@H](C[C@H]1N1CC1)O[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=CC=CC=C1C3=O)C(C)=O

InChIKey

InChIKey=FXNIKXYTYDTYRY-UPDJBJLJSA-N

Formula

C29H31NO12S

Mass

617.62

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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 - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Monosaccharide sulfate - Aryl ketone - Sulfuric acid diester - Amino saccharide - Monosaccharide - Oxane - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Alpha-hydroxy ketone - Tertiary alcohol - Organic sulfuric acid or derivatives - Vinylogous acid - Tertiary aliphatic amine - Tertiary amine - Ketone - Polyol - Oxacycle - Aziridine - Azacycle - Organoheterocyclic compound - Acetal - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - Carbonyl group - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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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