Structure Information
Structure

Compound Identification

SMILES

CCC1=CC(S[C@H]([C@@H](O)C(O)=O)C2=CC=C(OC)C=C2)=C(N)C=C1

InChIKey

InChIKey=JQDDPJVNJBDNCH-SJORKVTESA-N

Formula

C18H21NO4S

Mass

347.43

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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 - Anisole - Phenol ether - Thiophenol ether - Aniline or substituted anilines - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Alpha-hydroxy acid - Benzenoid - Amino acid - Secondary alcohol - Amino acid or derivatives - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Primary amine - Alcohol - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Amine - Organic oxide - Organic nitrogen compound - 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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