Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC(=O)C=CC3=CC(O)=C(OC4OC(CO)C(O)C(O)C4OC(=O)C=CC4=CC(OC5OC(CO)C(O)C(O)C5O)=C(O)C=C4)C=C3)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2OC(=O)C=CC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1

InChIKey

InChIKey=KJWVJKNRDSKXQN-UHFFFAOYSA-O

Formula

C79H91O45

Mass

1760.551

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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 3-O-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid 3-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Methoxyphenol - 1-benzopyran - Benzopyran - Tricarboxylic acid or derivatives - Styrene - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Fatty acid ester - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Oxane - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Polyol - Ether - Oxacycle - Acetal - Organoheterocyclic compound - Primary alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid 3-o-p-coumaroyl glycosides. These are flavonoid 3-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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