Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C(=O)OC[C@H]3O[C@@H](OC4=CC=C(\C=C\C(=O)OC[C@H]5O[C@@H](OC6=CC(=CC(O[C@@H]7O[C@H](COC(=O)\C=C\C8=CC=C(O[C@@H]9O[C@H](COC(=O)\C=C\C%10=CC=C(O)C=C%10)[C@@H](O)[C@H](O)[C@H]9O)C=C8)[C@@H](O)[C@H](O)[C@H]7O)=C6O)C6=C(O[C@@H]7O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]7O)C=C7C(O)=CC(O)=CC7=[O+]6)[C@H](O)[C@@H](O)[C@@H]5O)C=C4)[C@H](O)[C@@H](O)[C@@H]3O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=XTHSRWZCSBGWPH-NKSFUSOGSA-O

Formula

C90H97O48

Mass

1946.717

Export to:

JSON SDF CSV

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

Previous Back Next