Structure Information
Structure

Compound Identification

SMILES

OCC1O[C@@H](OC2[C@@H](O)[C@H](O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)O[C@H]2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=MNQXYDTZVQQBJH-VHUBIZTASA-N

Formula

C36H36O20

Mass

788.664

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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 - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - O-glycosyl compound - Glycosyl compound - Chromone - Disaccharide - 1-benzopyran - Benzopyran - Styrene - Catechol - Phenol - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Oxane - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Oxacycle - Organooxygen compound - Organic oxygen compound - Alcohol - Primary alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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

LIPIDMAPS (LMPK12110575) : Flavones and Flavonols

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