Compound Identification
SMILES
OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C(=O)OC[C@H]3O[C@@H](OC4=CC(=CC(O[C@@H]5O[C@H](COC(=O)\C=C\C6=CC=C(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C=C6)[C@@H](O)[C@H](O)[C@H]5O)=C4O)C4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C5C(O)=CC(O)=CC5=[O+]4)[C@H](O)[C@@H](O)[C@@H]3O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=PMLYNVAVMSICSM-QXJFFVRLSA-O
Formula
C63H73O36
Mass
1406.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- 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 3p-O-p-coumaroyl glycosides - Anthocyanidin 3p-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 3p-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Anthocyanin-3'-O-glycosides Flavonoid-3-O-glycosides 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Cinnamic acid esters O-glycosyl compounds 1-benzopyrans Phenoxy compounds Phenol ethers Styrenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Dicarboxylic acids and derivatives Monosaccharides Oxanes Enoate esters Heteroaromatic compounds Secondary alcohols Acetals Oxacyclic compounds Polyols Carbonyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3p-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-3p-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Styrene - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid derivative - Polyol - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin 3p-o-6-p-coumaroyl glycosides. These are anthocyanidin 3p-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
Not available