Compound Identification
SMILES
OC(=O)CCC(=O)C=CC1=CC=CC=C1O
InChIKey
InChIKey=KNQJRDJKWMXBKG-UHFFFAOYSA-N
Formula
C12H12O4
Mass
220.224
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxycinnamic acids and derivatives
Alternative Parents
Medium-chain keto acids and derivatives Styrenes Gamma-keto acids and derivatives Hydroxy fatty acids 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Unsaturated fatty acids Enones Acryloyl compounds Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hydroxycinnamic acid or derivatives - Medium-chain keto acid - Gamma-keto acid - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Hydroxy fatty acid - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Unsaturated fatty acid - Keto acid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
External Descriptors
Not available