Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCC1=CC=CC=C1C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C1=NC(=CS1)C(O)=O

InChIKey

InChIKey=PMPCOYLIHVJATM-SCNOPHJPSA-N

Formula

C20H21NO5S

Mass

387.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpropanoic-acid - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Azole - Oxolane - Heteroaromatic compound - Thiazole - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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