Structure Information
Structure

Compound Identification

SMILES

O.[H][C@]1(C)C2=C(C(O)=CC=C2)C(=O)C2=C(O)[C@]3(O)C(=O)C(C(O)=N)=C(O)[C@@]([H])(N(C)C)[C@]3([H])[C@@]([H])(O)[C@]12[H]

InChIKey

InChIKey=XQTWDDCIUJNLTR-CVHRZJFOSA-N

Formula

C22H26N2O9

Mass

462.455

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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 - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Benzenoid - Tertiary alcohol - Vinylogous acid - Ketone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Polyol - Enol - Carboximidic acid derivative - Carboximidic acid - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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

CHEBI:60648 : hydrate

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