Structure Information
Structure

Compound Identification

SMILES

NCC1=C(O)C2=C(O)C3=C(C[C@H]4CC(=O)C(C(N)=O)=C(O)[C@@]4(O)C3=O)C=C2C(Cl)=C1

InChIKey

InChIKey=UANPMDBYHYOLQR-FHZGZLOMSA-N

Formula

C20H17ClN2O7

Mass

432.81

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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 - Anthracene carboxylic acid or derivatives - Chloronaphthalene - 1-naphthol - Naphthalene - Tetralin - 4-halophenol - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Cyclohexenone - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Vinylogous acid - Tertiary alcohol - Amino acid or derivatives - Primary carboxylic acid amide - Cyclic ketone - Carboxamide group - Ketone - Polyol - Carboxylic acid derivative - Enol - Hydrocarbon derivative - Primary aliphatic amine - Organic oxygen compound - Alcohol - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Organic nitrogen compound - 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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