Compound Identification
SMILES
CC(C)(C)OP(=O)(CC1=CC=C(C=C1)[C@@H](CC=C)CC(O)=O)OC(C)(C)C
InChIKey
InChIKey=JXGIGONRWOLQOS-SFHVURJKSA-N
Formula
C21H33O5P
Mass
396.464
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
Monocyclic monoterpenoids Aromatic monoterpenoids Medium-chain fatty acids Dialkyl alkylphosphonates Unsaturated fatty acids Phosphonic acid esters Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Medium-chain fatty acid - Dialkyl alkylphosphonate - Phosphonic acid diester - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Phosphonic acid ester - Organophosphonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organooxygen 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