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
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
Monosaccharides Dicarboxylic acids and derivatives Benzene and substituted derivatives Secondary alcohols Carboxylic acid salts Sulfenyl compounds Dialkylthioethers Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
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