Compound Identification
SMILES
O[C@@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@H]4O[C@@H](COC(=O)\C=C\C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]4O)C=C23)C2=CC=C(O)C=C2)[C@@H](COC(=O)CC([O-])=O)[C@H](O)[C@H]1O
InChIKey
InChIKey=YUSKNHRNNCKODJ-USIYUGPOSA-N
Formula
C39H38O20
Mass
826.713
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-3-O-glycosides Anthocyanidin-5-O-glycosides Flavonoid-3-O-glycosides 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Tricarboxylic acids and derivatives Styrenes 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Monosaccharides Oxanes 1,3-dicarbonyl compounds Enoate esters Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Hemiacetals Carboxylic acids Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanidin-3-o-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanin - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Coumaric acid ester - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Tricarboxylic acid or derivatives - Styrene - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Monosaccharide - Oxane - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Carboxylic acid salt - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Carbonyl group - Organic zwitterion - Alcohol - 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
Not available