Structure Information
Structure

Compound Identification

SMILES

O.Cl.Cl.CCO.[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].[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=HALQELOKLVRWRI-VDBOFHIQSA-N

Formula

C46H58Cl2N4O18

Mass

1025.88

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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

Not available

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 - Tertiary amine - Tertiary aliphatic amine - Carboximidic acid - Polyol - Carboximidic acid derivative - Carboxylic acid derivative - Enol - Primary alcohol - Organic oxygen compound - Alcohol - Organopnictogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Hydrochloride - 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:34730 : hydrate

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