Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C=C2C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)=CC(O)=CC2=[O+]1
InChIKey
InChIKey=DGVPBUDMTNUREK-NTXJOZOJSA-O
Formula
C43H49O24
Mass
949.84
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-5-O-glycosides Anthocyanidin-3-O-glycosides Flavonoid-3-O-glycosides 3'-O-methylated flavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Cinnamic acid esters Coumaric acids and derivatives Disaccharides O-glycosyl compounds 1-benzopyrans Methoxyphenols Phenoxy compounds Methoxybenzenes Catechols Styrenes Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Polyols Carbonyl compounds Organic oxides Hydrocarbon derivatives Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - O-glycosyl compound - Disaccharide - Glycosyl compound - Methoxyphenol - 1-benzopyran - Benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Catechol - Phenol ether - Styrene - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Fatty acyl - Oxane - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Ether - Polyol - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Carbonyl group - Primary alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organooxygen compound - Organic cation - 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
LIPIDMAPS (LMPK12010253) : Anthocyanidins