Structure Information
Structure

Compound Identification

SMILES

[H][C@]12C[C@@]3([H])[C@]([H])(N(C)C)C(O)=C(C(O)=[NH+]CN4CCN(CCO)CC4)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(C=CC=C1O)[C@@]2(C)O

InChIKey

InChIKey=XATZHCXBMKRRDO-REHNUXHNSA-O

Formula

C29H39N4O9

Mass

587.649

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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 heteropolycyclic compounds

Substituents

Tetracycline - Naphthacene - Tetracene - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - N-alkylpiperazine - Aralkylamine - Cyclohexenone - 1,4-diazinane - Piperazine - Benzenoid - Vinylogous acid - Tertiary alcohol - Ketone - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboximidic acid derivative - Enol - Alkanolamine - Polyol - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Organic oxygen compound - Alcohol - Organic cation - Aromatic heteropolycyclic 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:75267 : organic cation

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