Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(O)=C1O)C1=C(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1

InChIKey

InChIKey=INNWBDMUGLOJON-UHFFFAOYSA-O

Formula

C30H27O14

Mass

611.531

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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 - Anthocyanin - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - 3'-hydroxyflavonoid - Hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - Methoxyphenol - Benzopyran - 1-benzopyran - Pentose monosaccharide - Phenol ether - Phenoxy compound - Styrene - Anisole - Methoxybenzene - Catechol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Oxolane - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - 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

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