Compound Identification
SMILES
CC(=O)OC1=CC=C(C=C(C(O)=O)C2=CC=CN=C2)C(O)=C1
InChIKey
InChIKey=WCMCPFTXQXCWMW-UHFFFAOYSA-N
Formula
C16H13NO5
Mass
299.282
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Hydroxycinnamic acids
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
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
Alternative Parents
Cinnamic acids Phenol esters Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyridines and derivatives Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Carboxylic acids Azacyclic compounds Organic oxides Organopnictogen compounds Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - Hydroxycinnamic acid - Phenol ester - Phenoxy compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.
External Descriptors
Not available