Structure Information
Structure

Compound Identification

SMILES

OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)C1O

InChIKey

InChIKey=BHLBNEUDVGRJGM-UHFFFAOYSA-O

Formula

C29H25O14

Mass

597.504

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 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 - Anthocyanin - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 5-hydroxyflavonoid - 7-hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - Benzopyran - Pentose monosaccharide - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Catechol - Styrene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Alcohol - Organic oxide - Carbonyl group - Organic cation - 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

Previous Back Next