Compound Identification
SMILES
O[C@@H]1C=C(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@@H]1O)C(O)=O
InChIKey
InChIKey=GVECSFFLZYNEBO-PDXJTRCTSA-N
Formula
C16H16O7
Mass
320.297
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
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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 Styrenes Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Cyclitols and derivatives Enoate esters Secondary alcohols 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid ester - Coumaric acid or derivatives - Cinnamic acid ester - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Cyclitol or derivatives - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - Aromatic homomonocyclic 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
CHEBI:16428 :
alpha,beta-unsaturated monocarboxylic acid - cyclohexenecarboxylic acid
KEGG (C02947) :
Paracoumaryl alcohol derivatives