Compound Identification
SMILES
OCC1O[C@@H](OC2=CC(=CC(O)=C2O)C2=C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C=C3C(O[C@@H]4OC(COC(=O)\C=C\C5=CC=C(O)C=C5)[C@@H](O)[C@H](O)C4O)=CC(O)=CC3=[O+]2)C(O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=YOXRYZQVIQLZEH-PDJZORSRSA-O
Formula
C42H47O24
Mass
935.813
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 5-O-p-coumaroyl glycosides - Anthocyanidin 5-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 5-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Anthocyanidin-5-O-glycosides Anthocyanin-3'-O-glycosides Flavonoid-3-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Coumaric acid esters Coumaric acids and derivatives Cinnamic acid esters O-glycosyl compounds 1-benzopyrans Catechols Phenol ethers Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Monosaccharides 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 5-o-6-p-coumaroyl-glycoside - Anthocyanidin-3-o-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanidin-3p-o-glycoside - Anthocyanin - Flavonoid-3-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Coumaric acid ester - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Phenol ether - Styrene - Phenoxy compound - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - Oxane - Fatty acyl - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Polyol - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Primary alcohol - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin 5-o-6-p-coumaroyl glycosides. These are anthocyanidin 5-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 (LMPK12010316) : Anthocyanidins