Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(COC(=O)C2=CC=CC(C(=O)C3=C(O)C(=CC(Cl)=C3)C(=O)C3=CC=CC=C3O)=C2O)CS[C@@H]2[C@H](NC(=O)COC3=CC=CC=C3)C(=O)N12

InChIKey

InChIKey=NFHIWKXCLBDNAL-GUZYMRFCSA-N

Formula

C37H27ClN2O12S

Mass

759.14

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Cephalosporin - Benzophenone - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Aryl-phenylketone - O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoate ester - Alpha-amino acid or derivatives - Cephem - Benzoic acid or derivatives - Phenoxy compound - Aryl ketone - 4-chlorophenol - Phenol ether - 4-halophenol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Alkyl aryl ether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Meta-thiazine - Aryl chloride - Vinylogous acid - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Ketone - Azacycle - Carboxylic acid - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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