Structure Information
Structure

Compound Identification

SMILES

O[C@@H]([C@@H](SCC1=C(F)C=C(C=C1)C(O)=O)C1=CC=CC=C1CCCCCCCCC1=CC=CC=C1)C(O)=O

InChIKey

InChIKey=VUYWXJUFRJINEO-VMPREFPWSA-N

Formula

C31H35FO5S

Mass

538.67

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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 - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Halobenzene - Fluorobenzene - Benzenoid - Alpha-hydroxy acid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Hydroxy acid - Secondary alcohol - Dialkylthioether - Thioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur 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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