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@@H]3OC(COC(=O)\C=C\C4=CC(O)=C(O)C=C4)[C@@H](O)[C@H](O)C3O)=C(O)C=C2)C(O)C(O)[C@@H]1O
InChIKey
InChIKey=FRDGOYDIONPUGI-IZSGTEIOSA-O
Formula
C51H53O27
Mass
1097.957
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
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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 Anthocyanidins Phenolic glycosides Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Phenoxy compounds Phenol ethers Styrenes Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Monosaccharides Oxanes Dicarboxylic acids and derivatives Heteroaromatic compounds Enoate esters Secondary alcohols Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3p-o-6-p-coumaroyl-glycoside - Anthocyanidin 5-o-6-p-coumaroyl-glycoside - Flavonoid 3p-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-3-o-glycoside - Anthocyanidin-3p-o-glycoside - Anthocyanidin-5-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Styrene - Catechol - Phenol ether - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - Monosaccharide - Dicarboxylic acid or derivatives - Oxane - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Carbonyl group - Primary alcohol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - 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 (LMPK12010190) : Anthocyanidins