Compound Identification
SMILES
COC1=CC(\C=C\C(=O)OCC2O[C@@H](OC3=CC4=[O+]C(=C(O[C@@H]5O[C@H](CO)[C@@H](O)C(O)C5O)C=C4C(O)=C3)C3=CC(O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC(OC)=C(O)C(OC)=C5)[C@@H](O)C(O)C4O)=C(O)C=C3)C(O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O
InChIKey
InChIKey=XOYAXTMVHJXJIK-VLZLXSTASA-O
Formula
C55H61O29
Mass
1186.063
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavonoid glycosides
- Level 5 Flavonoid O-glycosides
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Subclass
Flavonoid glycosides
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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 3p-O-6-p-coumaroyl glycosides Anthocyanin-3'-O-glycosides Anthocyanidin-7-O-Glycosides Anthocyanidin-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 Dimethoxybenzenes Methoxyphenols Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Dicarboxylic acids and derivatives Monosaccharides Heteroaromatic compounds Enoate esters Secondary alcohols Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Primary alcohols Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 7-o-6-p-coumaroyl-glycoside - Anthocyanidin 3p-o-6-p-coumaroyl-glycoside - Flavonoid 3p-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-7-o-glycoside - Anthocyanidin-3p-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Dimethoxybenzene - M-dimethoxybenzene - Benzopyran - 1-benzopyran - Methoxyphenol - Phenoxy compound - Phenol ether - Styrene - Anisole - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Oxane - Monosaccharide - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Polyol - Ether - Acetal - Oxacycle - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - 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 (LMPK12010205) : Anthocyanidins