Compound Identification
SMILES
OCC1O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O[C@@H]4OC(COC(=O)\C=C\C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)C4O)C3=C2)C2=CC(O)=C(O)C(O[C@@H]3OC(COC(=O)\C=C\C4=CC(O)=C(O)C=C4)[C@@H](O)[C@H](O)C3O)=C2)C(O)C(O)[C@@H]1O
InChIKey
InChIKey=CMHKKALEZOJWDP-SYEACPEDSA-O
Formula
C51H53O28
Mass
1113.956
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavonoid glycosides
- Level 5 Flavonoid O-glycosides
-
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 3p-O-6-p-coumaroyl glycosides Anthocyanin-3'-O-glycosides Anthocyanidin-5-O-glycosides Anthocyanidin-3-O-glycosides Flavonoid-3-O-glycosides 7-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids Anthocyanidins Phenolic glycosides Coumaric acids and derivatives Cinnamic acid esters O-glycosyl compounds 1-benzopyrans Phenol ethers Styrenes Phenoxy compounds Catechols 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Dicarboxylic acids and derivatives Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Primary alcohols Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid 3p-o-6-p-coumaroyl-glycoside - Anthocyanidin 5-o-6-p-coumaroyl-glycoside - Anthocyanidin 3p-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-3p-o-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - Styrene - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Oxane - Monosaccharide - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Acetal - Polyol - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organic oxide - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Alcohol - 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 (LMPK12010277) : Anthocyanidins