Structure Information
Structure

Compound Identification

SMILES

[Ca++].CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1[O-])C(=O)C1=C(O)C=CC=C1[C@@]3(C)O.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1[O-])C(=O)C1=C(O)C=CC=C1[C@@]3(C)O

InChIKey

InChIKey=YRWAXQICRNVKCJ-RTXWEIJPSA-L

Formula

C44H46CaN4O16

Mass

926.942

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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 - Tetracene - Naphthacene - Anthracene carboxylic acid or derivatives - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Phenoxide - Benzenoid - Vinylogous acid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Ketone - Carboxamide group - Amino acid or derivatives - Organic calcium salt - Polyol - Enol - Carboxylic acid derivative - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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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