Compound Identification
SMILES
[H]\C(=C(\[H])C1=CC=C(O)C=C1)C(=O)OC1C(O)C(CO)OC1(CO)OC1OC(CO)C(O)C(O)C1O
InChIKey
InChIKey=FLMDUXSVNZEHLA-ZZXKWVIFSA-N
Formula
C21H28O13
Mass
488.442
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
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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 C-glycosyl compounds O-glycosyl compounds Disaccharides Styrenes 1-hydroxy-2-unsubstituted benzenoids Ketals Fatty acid esters Oxanes Tetrahydrofurans Enoate esters Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid ester - Coumaric acid or derivatives - Cinnamic acid ester - C-glycosyl compound - Disaccharide - Glycosyl compound - O-glycosyl compound - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Fatty acid ester - Phenol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Oxane - Tetrahydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Polyol - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Primary alcohol - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic 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