Structure Information
Structure

Compound Identification

SMILES

OC(C(SCCOCC(O)=O)C1=CC=CC=C1CCCCCCCCC1=CC=CC=C1)C([O-])=O

InChIKey

InChIKey=SSTIGVXMXNPKNA-UHFFFAOYSA-M

Formula

C27H35O6S

Mass

487.63

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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 - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Monosaccharide - Benzenoid - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organooxygen compound - Organosulfur compound - Organic oxide - Organic anion - 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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