Compound Identification
SMILES
CC(C)CC(=O)O[C@H]1OC=C(CO)[C@@H]2C[C@@H](OC(=O)\C=C\C3=CC=C(O)C=C3)[C@](O)(CO)[C@H]12
InChIKey
InChIKey=RJHVTZAZDRWBJX-SETJXSHSSA-N
Formula
C24H30O9
Mass
462.495
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
-
Level 5
Hydroxycinnamic acid esters
- Level 6 Coumaric acid esters
-
Level 5
Hydroxycinnamic acid esters
-
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
Hydroxycinnamic acid esters
Direct Parent
Coumaric acid esters
Alternative Parents
Coumaric acids and derivatives Cinnamic acid esters Iridoids and derivatives Bicyclic monoterpenoids Aromatic monoterpenoids Styrenes Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Tertiary alcohols Enoate esters Cyclic alcohols and derivatives Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid ester - Cinnamic acid ester - Coumaric acid or derivatives - Iridoid-skeleton - Monoterpenoid - Bicyclic monoterpenoid - Aromatic monoterpenoid - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.
External Descriptors
Not available