Compound Identification
SMILES
CC1O[C@@H](OCC2O[C@@H](OC3=C([O+]=C4C=C(O[C@@H]5OC(COC(=O)\C=C\C6=CC=C(O)C=C6)[C@@H](O)[C@H](O)C5O)C=C(O)C4=C3)C3=CC(O)=C(O)C(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)=C3)C(O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
InChIKey
InChIKey=KFBCGNAHMMZNFV-PTQKZTCMSA-O
Formula
C48H57O28
Mass
1081.955
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
Anthocyanin-3'-O-glycosides Anthocyanidin-3-O-glycosides Anthocyanidin-7-O-Glycosides Flavonoid-3-O-glycosides Flavonoid-7-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins Phenolic glycosides Coumaric acid esters Coumaric acids and derivatives Cinnamic acid esters Disaccharides O-glycosyl compounds 1-benzopyrans Catechols Phenoxy compounds Styrenes Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 7-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-7-o-glycoside - Anthocyanidin-3p-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Coumaric acid ester - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Styrene - Phenol ether - Catechol - Phenoxy compound - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - Oxane - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - 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 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 (LMPK12010340) : Anthocyanidins