Compound Identification
SMILES
O[C@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C([O+]=C3C=C(O[C@@H]4OC(COC(=O)C=CC5=CC(O)=C(O[C@@H]6O[C@H](COC(=O)C=CC7=CC(O)=C(O)C=C7)[C@H](O)C(O)C6O)C=C5)[C@@H](O)[C@H](O)C4O)C=C(O)C3=C2)C2=CC=C(O)C=C2)C(O)C1O
InChIKey
InChIKey=BSASCOCSWDJREE-RNCWUYGTSA-O
Formula
C54H55O29
Mass
1168.004
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 7-O-p-coumaroyl glycosides - Anthocyanidin 7-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 7-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Anthocyanidin-7-O-Glycosides Flavonoid-3-O-glycosides Flavonoid-7-O-glycosides 4'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins Phenolic glycosides Tetracarboxylic acids and derivatives 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 1,3-dicarbonyl compounds Oxanes Monosaccharides Heteroaromatic compounds Enoate esters Secondary alcohols Carboxylic acids Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 7-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-7-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Tetracarboxylic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Phenol ether - Catechol - Styrene - Phenoxy compound - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Oxane - Benzenoid - Fatty acyl - Monosaccharide - 1,3-dicarbonyl compound - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Carbonyl group - 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 7-o-6-p-coumaroyl glycosides. These are anthocyanidin 7-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