Compound Identification
SMILES
COC1=C(O)C=CC(\C=C\C(=O)OCC2O[C@@H](OC3=CC4=[O+]C(=C(O[C@@H]5OC(COC(=O)CC(O)=O)[C@@H](O)[C@H](O)C5O)C=C4C(O)=C3)C3=CC(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)=C(O)C=C3)C(O)[C@@H](O)[C@@H]2O)=C1
InChIKey
InChIKey=PNXAVCXVCDUMFM-GTOCAMQLSA-O
Formula
C46H51O27
Mass
1035.886
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 Anthocyanin-3'-O-glycosides Flavonoid-3-O-glycosides Flavonoid-7-O-glycosides 4'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins Phenolic glycosides Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Methoxyphenols Tricarboxylic acids and derivatives Methoxybenzenes Anisoles Phenoxy compounds Styrenes Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Oxanes Monosaccharides 1,3-dicarbonyl compounds 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 7-o-6-p-coumaroyl-glycoside - Anthocyanidin-3-o-glycoside - Anthocyanidin-7-o-glycoside - Anthocyanin - Anthocyanidin-3p-o-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Methoxyphenol - 1-benzopyran - Benzopyran - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Styrene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Oxane - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Ether - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Acetal - Polyol - Organoheterocyclic compound - 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 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
LIPIDMAPS (LMPK12010227) : Anthocyanidins