Compound Identification
SMILES
O[C@H](C(O)=O)[C@](O)(CC1=CC=C(O)C=C1)C(O)=O
InChIKey
InChIKey=TUODPMGCCJSJRH-LDYMZIIASA-N
Formula
C11H12O7
Mass
256.21
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 hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Dicarboxylic acids and derivatives Benzene and substituted derivatives Alpha hydroxy acids and derivatives Tertiary alcohols Secondary alcohols 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Phenol - Alpha-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Benzenoid - Tertiary alcohol - 1,2-diol - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Alcohol - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen 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