Compound Identification
SMILES
Oc1ccc(\C=C\C(=O)C2CCOC2=O)cc1
InChIKey
InChIKey=CTALWOJIVAPDJI-ZZXKWVIFSA-N
Formula
C13H12O4
Mass
232.235
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
Styrenes 1-hydroxy-2-unsubstituted benzenoids Gamma butyrolactones 1,3-dicarbonyl compounds Tetrahydrofurans Enones Acryloyl compounds Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydroxycinnamic acid or derivatives - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Gamma butyrolactone - 1,3-dicarbonyl compound - Benzenoid - Acryloyl-group - Enone - Tetrahydrofuran - Alpha,beta-unsaturated ketone - Lactone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic 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