Structure Information
Structure

Compound Identification

SMILES

OC(NCC(O)=O)C(CS)(CC1=CC=CC=C1)C(O)=O

InChIKey

InChIKey=JBNCOMLHHJNUGD-UHFFFAOYSA-N

Formula

C13H17NO5S

Mass

299.34

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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 homomonocyclic compounds

Substituents

3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Beta-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Benzenoid - Amino acid or derivatives - Hemiaminal - Amino acid - Secondary amine - Alkanolamine - Carboxylic acid derivative - Alkylthiol - Carboxylic acid - Secondary aliphatic amine - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic 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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