Compound Identification
SMILES
COC(=O)\C=C\C1=CC=CC2=C1OCCC2=O
InChIKey
InChIKey=OPINHFPRRUOHIN-AATRIKPKSA-N
Formula
C13H12O4
Mass
232.235
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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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
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid esters Chromones Styrenes Aryl alkyl ketones Fatty acid esters Alkyl aryl ethers Methyl esters Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Chromone - Chromane - Benzopyran - 1-benzopyran - Styrene - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Oxacycle - Carboxylic acid derivative - Aldehyde - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available