Compound Identification
SMILES
OC(=O)[C@@H](OC(=O)\C=C\C1=CC=C(O)C=C1)[C@](O)(CC1=CC(O)=C(O)C=C1)C(O)=O
InChIKey
InChIKey=NIDSBIYSGNHVDL-ZUVWSUMTSA-N
Formula
C20H18O10
Mass
418.354
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
Cinnamic acid esters Coumaric acids and derivatives Phenylpropanoic acids Tricarboxylic acids and derivatives Catechols Styrenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Sugar acids and derivatives Fatty acid esters Alpha hydroxy acids and derivatives Monosaccharides Tertiary alcohols Enoate esters Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid ester - Cinnamic acid ester - Coumaric acid or derivatives - 3-phenylpropanoic-acid - Tricarboxylic acid or derivatives - Styrene - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Sugar acid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Hydroxy acid - Monocyclic benzene moiety - Alpha-hydroxy acid - Monosaccharide - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - 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
Not available