Structure Information
Structure

Compound Identification

SMILES

CCCCCCCC1=CC=C(C\C=C/[C@@H](SCC2=CC=C(\C=C\C(O)=O)C=C2)[C@@H](O)CCCC(O)=O)C=C1

InChIKey

InChIKey=CXUYIFNEHLJSPJ-ITFFPKAASA-N

Formula

C32H42O5S

Mass

538.74

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acids

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Cinnamic acid - Styrene - Medium-chain fatty acid - Hydroxy fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Secondary alcohol - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Alcohol - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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