Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)C1=C(O[C@@H]2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)C(O)C2O)C=C2C(O[C@@H]3OC(COC(=O)CC(O)=O)[C@@H](OC(=O)CC(O)=O)[C@H](O)C3O)=CC(O)=CC2=[O+]1
InChIKey
InChIKey=WLRHEJRFVKWTOH-DBMRJGQUSA-O
Formula
C44H45O25
Mass
973.818
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
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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 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 Pentacarboxylic acids and derivatives Phenolic glycosides Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Dimethoxybenzenes Methoxyphenols Anisoles Phenoxy compounds Styrenes Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1,3-dicarbonyl compounds Oxanes Monosaccharides Heteroaromatic compounds Enoate esters Secondary alcohols Acetals Oxacyclic compounds Polyols Carboxylic acids Hydrocarbon derivatives Organic oxides 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 - Hydroxyflavonoid - 7-hydroxyflavonoid - Pentacarboxylic acid or derivatives - Anthocyanidin - Phenolic glycoside - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Benzopyran - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - 1-benzopyran - Phenol ether - Phenoxy compound - Styrene - Methoxybenzene - Anisole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Alkyl aryl ether - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Oxacycle - Ether - Organoheterocyclic compound - Acetal - Polyol - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Carbonyl group - 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 (LMPK12010392) : Anthocyanidins