Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](OC2=C(O)C(O[C@@H]3O[C@H](COC(=O)\C=C\C4=CC=C(O[C@@H]5O[C@H](COC(=O)\C=C\C6=CC=C(O)C=C6)[C@@H](O)[C@H](O)[C@H]5O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)=CC(=C2)C2=C(O[C@@H]3O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]3O)C=C3C(O)=CC(O)=CC3=[O+]2)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=FXZMULPLRTXRTF-XSNITHBASA-O

Formula

C60H65O34

Mass

1330.145

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

Direct Parent

Anthocyanidin 3p-O-6-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as anthocyanidin 3p-o-6-p-coumaroyl glycosides. These are anthocyanidin 3p-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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