Compound Identification
SMILES
[O-]C(=O)C(CC1=CC=CC=C1)C(=O)C([O-])=O
InChIKey
InChIKey=FQQOIIGFBAVLQP-UHFFFAOYSA-L
Formula
C11H8O5
Mass
220.181
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
Beta-keto acids and derivatives Dicarboxylic acids and derivatives Benzene and substituted derivatives Alpha-keto acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid salts Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Beta-keto acid - Alpha-keto acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Keto acid - 1,3-dicarbonyl compound - Benzenoid - Ketone - Carboxylic acid salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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