Compound Identification
SMILES
O=C(OCC(=O)C1=CC=CN1)\C=C\C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=HJMOYKCYYPJGEE-GQCTYLIASA-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 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 Benzodioxoles Styrenes Aryl alkyl ketones Alpha-acyloxy ketones Fatty acid esters Substituted pyrroles Enoate esters Heteroaromatic compounds Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Aldehydes Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Benzodioxole - Styrene - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Acetal - Oxacycle - Carboxylic acid derivative - Aldehyde - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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