Compound Identification
SMILES
COC1=CC(\C=C\C(=O)OCC2O[C@@H](OC3=CC4=[O+]C(=C(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C=C4C(O)=C3)C3=CC(O)=C(O)C(O[C@@H]4OC(COC(=O)\C=C\C5=CC(OC)=C(O)C(OC)=C5)[C@@H](O)[C@H](O)C4O)=C3)C(O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O
InChIKey
InChIKey=SRALQJSERXBZGK-TUQXFZCLSA-O
Formula
C55H61O30
Mass
1202.062
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 Anthocyanidin-3-O-glycosides Anthocyanidin-7-O-Glycosides Anthocyanin-3'-O-glycosides Flavonoid-3-O-glycosides Flavonoid-7-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins Phenolic glycosides Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds Methoxyphenols Dimethoxybenzenes 1-benzopyrans Anisoles Catechols Styrenes Phenoxy compounds Fatty acid esters Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Monosaccharides Dicarboxylic acids and derivatives Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Organic oxides Primary alcohols Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 7-o-6-p-coumaroyl-glycoside - Flavonoid 3p-o-6-p-coumaroyl-glycoside - Anthocyanidin 3p-o-6-p-coumaroyl-glycoside - Anthocyanidin-3p-o-glycoside - Anthocyanidin-3-o-glycoside - Anthocyanidin-7-o-glycoside - Anthocyanin - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - Hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Cinnamic acid or derivatives - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Glycosyl compound - O-glycosyl compound - Dimethoxybenzene - M-dimethoxybenzene - 1-benzopyran - Methoxyphenol - Benzopyran - Catechol - Phenoxy compound - Styrene - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monosaccharide - Dicarboxylic acid or derivatives - Benzenoid - Oxane - Monocyclic benzene moiety - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Ether - Polyol - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Primary alcohol - 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 (LMPK12010347) : Anthocyanidins