Compound Identification
SMILES
COC1=C(O)C=CC(\C=C\C(=O)OC[C@H]2O[C@H](O[C@@]3(COC(=O)\C=C\C4=CC=C(O)C=C4)O[C@H](COC(=O)\C=C\C4=CC=C(O)C=C4)[C@@H](O)[C@@H]3OC(=O)\C=C\C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)=C1
InChIKey
InChIKey=ALSDWGAQQGXOHC-LMXPHSKJSA-N
Formula
C49H48O20
Mass
956.903
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Tetracarboxylic acids and derivatives Cinnamic acid esters Coumaric acids and derivatives C-glycosyl compounds Disaccharides O-glycosyl compounds Methoxyphenols Anisoles Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Ketals Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Oxanes Enoate esters Oxolanes Secondary alcohols Polyols Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tetracarboxylic acid or derivatives - Coumaric acid ester - Cinnamic acid ester - Coumaric acid or derivatives - O-glycosyl compound - Glycosyl compound - Disaccharide - C-glycosyl compound - Methoxyphenol - Phenol ether - Phenoxy compound - Methoxybenzene - Styrene - Anisole - Alkyl aryl ether - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Oxolane - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - Organic oxygen 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