Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(=C1)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=TXAUQTLUPDFXHV-UHFFFAOYSA-O

Formula

C30H27O13

Mass

595.532

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