Compound Identification
SMILES
CCOC(=O)C(=C\C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)\C(C)=O
InChIKey
InChIKey=OJZBBHWBJOSQFI-XNTDXEJSSA-N
Formula
C21H30O4
Mass
346.467
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 Phenylpropanes Phenols Fatty acid esters Beta-keto acids and derivatives Alpha-branched alpha,beta-unsaturated ketones Enones Enoate esters Acryloyl compounds Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid ester - Cinnamic acid ester - Coumaric acid or derivatives - Phenylpropane - Phenol - Fatty acid ester - Beta-keto acid - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Keto acid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enone - Acryloyl-group - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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