Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1C(=O)C=C2C=C3C=C4C=CC(NC(=O)COCC5=CC=CC=C5)=C(O)C4=C(O)C3=C(O)C2(O)C1=O

InChIKey

InChIKey=CAEQVMGZPZCVNH-UHFFFAOYSA-N

Formula

C28H22N2O9

Mass

530.489

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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 - 1-naphthol - Naphthalene - Benzylether - N-arylamide - 1-hydroxy-4-unsubstituted benzenoid - Cyclohexenone - 1,3-diketone - Phenol - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Tertiary alcohol - Primary carboxylic acid amide - Ketone - Secondary carboxylic acid amide - Cyclic ketone - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Polyol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen 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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