Compound Identification
SMILES
OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C(=O)OC[C@H]3O[C@@H](OC4=CC=C(\C=C\C(=O)OC[C@H]5O[C@@H](OC6=CC(=CC(O[C@@H]7O[C@H](COC(=O)\C=C\C8=CC=C(O[C@@H]9O[C@H](COC(=O)\C=C\C%10=CC=C(O)C=C%10)[C@@H](O)[C@H](O)[C@H]9O)C=C8)[C@@H](O)[C@H](O)[C@H]7O)=C6O)C6=C(O[C@@H]7O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]7O)C=C7C(O)=CC(O)=CC7=[O+]6)[C@H](O)[C@@H](O)[C@@H]5O)C=C4)[C@H](O)[C@@H](O)[C@@H]3O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=XTHSRWZCSBGWPH-NKSFUSOGSA-O
Formula
C90H97O48
Mass
1946.717
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- 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 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 Hexacarboxylic acids and derivatives 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids Anthocyanidins Phenolic glycosides Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Phenol ethers Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters 1,3-dicarbonyl compounds Monosaccharides Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Polyols Acetals Oxacyclic compounds Carboxylic acids Primary alcohols Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3p-o-6-p-coumaroyl-glycoside - Anthocyanidin-3-o-glycoside - Anthocyanidin-3p-o-glycoside - Anthocyanin - Flavonoid-3-o-glycoside - Hexacarboxylic acid or derivatives - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Phenol ether - Phenoxy compound - Styrene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Oxane - Monosaccharide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Acetal - Oxacycle - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - 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