Compound Identification
SMILES
OC(=O)C(=O)CC(O)(CC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=JGBAARJQSUOCEE-UHFFFAOYSA-N
Formula
C12H12O6
Mass
252.222
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
Medium-chain keto acids and derivatives Gamma-keto acids and derivatives Hydroxy fatty acids Branched fatty acids Dicarboxylic acids and derivatives Beta-hydroxy ketones Benzene and substituted derivatives Alpha-keto acids and derivatives Alpha hydroxy acids and derivatives Tertiary alcohols Alpha-hydroxy ketones Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Medium-chain keto acid - Gamma-keto acid - Branched fatty acid - Hydroxy fatty acid - Alpha-hydroxy acid - Alpha-keto acid - Monocyclic benzene moiety - Beta-hydroxy ketone - Dicarboxylic acid or derivatives - Hydroxy acid - Keto acid - Fatty acyl - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Ketone - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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