Structure Information
Structure

Compound Identification

SMILES

OCC1OC(OC2=C(O)C=C(\C=C\C(=O)OCC3OC(OC4=C(O)C=C(\C=C\C(=O)OCC5OC(OC6=CC7=C(C=CC=C7OC7OC(COC(O)CC(O)=O)C(O)C(O)C7O)[O+]=C6C6=CC(O)=C(O)C(O)=C6)C(O)C(O)C5O)C=C4)C(O)C(O)C3O)C=C2)C(O)C(O)C1O

InChIKey

InChIKey=OQHAZKKIIVGLJT-JMQWPVDRSA-O

Formula

C60H67O35

Mass

1348.16

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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 - Anthocyanidin-5-o-glycoside - Anthocyanin - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Coumaric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Benzopyran - Tricarboxylic acid or derivatives - Benzenetriol - Pyrogallol derivative - Styrene - Phenoxy compound - Phenol ether - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Monosaccharide - Oxane - Benzenoid - Hydroxy acid - Fatty acyl - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Hemiacetal - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Acetal - Organoheterocyclic compound - Polyol - 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 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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