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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
3-halobenzoic acids Halobenzoic acids Benzoic acids Benzoyl derivatives Fluorobenzenes Aryl fluorides Alpha hydroxy acids and derivatives Monosaccharides Secondary alcohols Monocarboxylic acids and derivatives Sulfenyl compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides
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