Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C(OC3=CC(O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC(O)=C(O[C@@H]6O[C@H](COC(=O)\C=C\C7=CC(O)=C(O)C=C7)[C@@H](O)[C@H](O)[C@H]6O)C=C5)[C@@H](O)[C@H](O)[C@H]4O)=CC(=O)C3=C2)C2=CC(O)=C(O)C(O[C@@H]3O[C@H](COC(=O)\C=C\C4=CC(O)=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)=C2)[C@H](O)[C@H]1O

InChIKey

InChIKey=LOUCZXQGIQMCDS-KXCDOWFISA-N

Formula

C69H70O39

Mass

1523.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavonoid glycosides

Intermediate Tree Nodes

Flavonoid O-glycosides

Direct Parent

Flavonoid 3p-O-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid 3p-o-6-p-coumaroyl-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Pentacarboxylic acid or derivatives - Phenolic glycoside - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Catechol - Phenoxy compound - Styrene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Monosaccharide - 1,3-dicarbonyl compound - Oxane - Vinylogous ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Acetal - Organoheterocyclic compound - Carboxylic acid - Polyol - Carboxylic acid derivative - Oxacycle - Carbonyl group - Alcohol - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid 3p-o-p-coumaroyl glycosides. These are flavonoid 3p-O-glycosides where the carbohydrate moiety is esterified with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring.

External Descriptors

Not available

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