Compound Identification
SMILES
OCC1O[C@@H](OC2[C@H](OC3=C([O+]=C4C=C(O[C@@H]5OC(COC(=O)\C=C\C6=CC(O)=C(O)C=C6)[C@@H](O)[C@H](O)C5O)C=C(O)C4=C3)C3=CC(O)=C(O)C(O)=C3)OC(COC(=O)CC(=O)OC(C(O)C(O)=O)C(O)=O)[C@H](O)[C@@H]2O)C(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=QSILDJSBWRMWKU-MEAGNHGISA-O
Formula
C58H59O36
Mass
1332.073
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavonoid glycosides
- Level 5 Flavonoid O-glycosides
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Subclass
Flavonoid glycosides
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides - Flavonoid 7-O-p-coumaroyl glycosides - Anthocyanidin 7-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 7-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanidin-7-O-Glycosides Anthocyanidin-3-O-glycosides Flavonoid-3-O-glycosides Flavonoid-7-O-glycosides Hexacarboxylic acids and derivatives 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins Phenolic glycosides Cinnamic acid esters Coumaric acids and derivatives Disaccharides O-glycosyl compounds 1-benzopyrans Pyrogallols and derivatives Styrenes Catechols 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Oxanes 1,3-dicarbonyl compounds Alpha hydroxy acids and derivatives Heteroaromatic compounds Enoate esters Secondary alcohols Acetals Oxacyclic compounds Polyols Carboxylic acids Hydrocarbon derivatives Organic oxides Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 7-o-6-p-coumaroyl-glycoside - Anthocyanidin-3-o-glycoside - Anthocyanidin-7-o-glycoside - Anthocyanin - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - Hexacarboxylic acid or derivatives - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Pyrogallol derivative - Benzenetriol - Styrene - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Phenol - Hydroxy acid - Benzenoid - 1,3-dicarbonyl compound - Alpha-hydroxy acid - Fatty acyl - Monocyclic benzene moiety - Oxane - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Acetal - Polyol - Oxacycle - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin 7-o-6-p-coumaroyl glycosides. These are anthocyanidin 7-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
LIPIDMAPS (LMPK12010270) : Anthocyanidins