Compound Identification
SMILES
COC1=C(O)C=CC(\C=C\C(=O)OCC2O[C@@H](OC3=C([O+]=C4C=C(O)C=C(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C4=C3)C3=CC=C(O)C=C3)C(O)C(O)[C@@H]2O)=C1
InChIKey
InChIKey=PXLHGVJUPQEPEJ-JWAGZAIVSA-O
Formula
C37H39O18
Mass
771.7
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 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Coumaric acids and derivatives Cinnamic acid esters O-glycosyl compounds Methoxyphenols 1-benzopyrans Anisoles Phenoxy compounds Methoxybenzenes Styrenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Monosaccharides Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Carbonyl compounds Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanidin-3-o-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanin - Flavonoid-3-o-glycoside - 4'-hydroxyflavonoid - 7-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 - Benzopyran - Methoxyphenol - 1-benzopyran - Methoxybenzene - Styrene - Phenol ether - Phenoxy compound - Anisole - Alkyl aryl ether - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Oxane - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Acetal - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Primary alcohol - Alcohol - Organooxygen compound - Carbonyl group - Organic oxygen 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 (LMPK12010044) : Anthocyanidins