Compound Identification
SMILES
O[C@@H]1C(COC(=O)\C=C\C2=CC=C(O)C=C2)O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O[C@@H]4OC(COC(=O)CC(O)=O)[C@@H](OC(=O)CC(O)=O)[C@H](O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O
InChIKey
InChIKey=JJJMVXFRCMSVEA-MGJFSSHNSA-O
Formula
C42H41O24
Mass
929.765
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 3-O-p-coumaroyl glycosides - Anthocyanidin 3-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 3-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanidin-5-O-glycosides Anthocyanidin-3-O-glycosides Flavonoid-3-O-glycosides 3'-hydroxyflavonoids 7-hydroxyflavonoids 4'-hydroxyflavonoids Anthocyanidins Pentacarboxylic acids and derivatives Phenolic glycosides Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Styrenes Catechols Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Oxanes 1,3-dicarbonyl compounds Heteroaromatic compounds Enoate esters Secondary alcohols Acetals Oxacyclic compounds Polyols Carboxylic acids Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 7-hydroxyflavonoid - 4'-hydroxyflavonoid - 3'-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Pentacarboxylic acid or derivatives - Phenolic glycoside - Coumaric acid ester - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Styrene - Catechol - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Oxane - 1,3-dicarbonyl compound - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid - Polyol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - 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
LIPIDMAPS (LMPK12010165) : Anthocyanidins