Structure Information
Structure

Compound Identification

SMILES

CN[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)cccc1[C@@]3(C)O

InChIKey

InChIKey=WKIZTXIDFJKNPM-ZLLMOTFPSA-N

Formula

C21H22N2O9

Mass

446.412

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Tetracyclines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Tetracyclines

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Tetracycline - Naphthacene - Tetracene - Anthracene carboxylic acid or derivatives - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Benzenoid - Tertiary alcohol - Vinylogous acid - Amino acid or derivatives - Carboxamide group - Ketone - Primary carboxylic acid amide - Secondary alcohol - Polyol - Enol - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.

External Descriptors

Not available

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