Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@H]4O[C@@H](COC(=O)\C=C\C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]4O)C=C23)C2=CC=C(O)C=C2)[C@@H](COC(=O)CC([O-])=O)[C@H](O)[C@H]1O

InChIKey

InChIKey=YUSKNHRNNCKODJ-USIYUGPOSA-N

Formula

C39H38O20

Mass

826.713

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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 - Flavonoid 3-O-p-coumaroyl glycosides - Anthocyanidin 3-O-p-coumaroyl glycosides

Direct Parent

Anthocyanidin 3-O-6-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanidin-3-o-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanin - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Coumaric acid ester - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Tricarboxylic acid or derivatives - Styrene - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Monosaccharide - Oxane - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Carboxylic acid salt - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Carbonyl group - Organic zwitterion - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anthocyanidin 3-o-6-p-coumaroyl glycosides. These are anthocyanidin 3-O-glycosides where the carbohydrate moiety is esterified at the C6 position 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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