Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C1=CSC(C)=N1)C(O)=O

InChIKey

InChIKey=BAEPUXWUXABLFE-RGIDJPDKSA-N

Formula

C38H49NO11S

Mass

727.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Tricarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylpropane - Tricarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Ketal - Oxepane - Fatty acid ester - Meta-dioxane - Alpha-hydroxy acid - Monosaccharide - Monocyclic benzene moiety - Fatty acyl - Hydroxy acid - Benzenoid - Azole - Heteroaromatic compound - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Thiazole - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Acetal - Oxacycle - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alcohol - Aldehyde - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

External Descriptors

Not available

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