Compound Identification
SMILES
CCOC1=CC=C(C[C@]2(CCN2)C(O)=O)C=C1
InChIKey
InChIKey=DVLXPMQIQGHXAH-CYBMUJFWSA-N
Formula
C13H17NO3
Mass
235.283
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
L-alpha-amino acids Amphetamines and derivatives D-alpha-amino acids Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Azetidinecarboxylic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - D-alpha-amino acid - Amphetamine or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Azetidinecarboxylic acid - Benzenoid - Monocyclic benzene moiety - Amino acid - Amino acid or derivatives - Azetidine - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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