Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C=CC(=O)O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](O)[C@@H](COC(=O)\C=C\C4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4)O[C@@H](OC4=CC(O)=CC5=[O+]C(=C(O[C@@H]6O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]6O)C=C45)C4=CC(O)=C(O)C=C4)[C@@H]3O)[C@@H]2O)=CC(OC)=C1O

InChIKey

InChIKey=MWEOFPSMYTZITA-IWSJIXRESA-O

Formula

C61H67O34

Mass

1344.172

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 5-O-p-coumaroyl glycosides - Anthocyanidin 5-O-p-coumaroyl glycosides

Direct Parent

Anthocyanidin 5-O-6-p-coumaroyl glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Anthocyanidin 5-o-6-p-coumaroyl-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanin - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Tetracarboxylic acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - O-glycosyl compound - Glycosyl compound - Disaccharide - Dimethoxybenzene - Benzopyran - Methoxyphenol - M-dimethoxybenzene - 1-benzopyran - Phenol ether - Styrene - Anisole - Catechol - Phenoxy compound - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Alkyl aryl ether - Phenol - 1,3-dicarbonyl compound - Oxane - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid - Ether - Oxacycle - Polyol - Carboxylic acid derivative - Acetal - 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 5-o-6-p-coumaroyl glycosides. These are anthocyanidin 5-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