Compound Identification
SMILES
CC1OC(OC2C3OC3(COC(=O)C=CC3=CC=C(O)C=C3)C3C2C=COC3OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChIKey
InChIKey=RLSWHCDMMMGSAZ-UHFFFAOYSA-N
Formula
C30H38O16
Mass
654.618
Taxonomic Classification
Taxonomy Tree
-
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
Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds Styrenes 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Oxanes Monosaccharides Enoate esters Secondary alcohols Acetals Polyols Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Epoxides Organic oxides Carbonyl compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid ester - Coumaric acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Acetal - Organic oxygen compound - Carbonyl group - Primary alcohol - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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