Compound Identification
SMILES
OC[C@@]12O[C@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@@H]3O[C@H](COC(=O)\C=C\C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)[C@H]21
InChIKey
InChIKey=AKYYFSOMEOHPPO-UAMYCEOTSA-N
Formula
C24H28O12
Mass
508.476
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Level 5
Hydroxycinnamic acid esters
- Level 6 Coumaric acid esters
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Level 5
Hydroxycinnamic acid esters
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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
Hydroxycinnamic acid esters
Direct Parent
Coumaric acid esters
Alternative Parents
Coumaric acids and derivatives Cinnamic acid esters O-glycosyl compounds Styrenes Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Enoate esters Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers 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 - O-glycosyl compound - Glycosyl compound - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Fatty acyl - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - 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