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(COC(=O)CC(O)=O)[C@@H](O)[C@H](O)C5O)C4=C3)C3=CC(O)=C(O)C=C3)C(O)C(O)[C@@H]2O)=C1
InChIKey
InChIKey=MWFHUILXIXNBKO-ZZDWMONASA-O
Formula
C40H41O22
Mass
873.745
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 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'-hydroxyflavonoids 7-hydroxyflavonoids 4'-hydroxyflavonoids Anthocyanidins Phenolic glycosides Coumaric acids and derivatives Cinnamic acid esters O-glycosyl compounds 1-benzopyrans Methoxyphenols Tricarboxylic acids and derivatives Phenoxy compounds Anisoles Styrenes Methoxybenzenes Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Monosaccharides 1,3-dicarbonyl compounds Oxanes 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 - Hydroxyflavonoid - 3'-hydroxyflavonoid - 7-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Cinnamic acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - Benzopyran - Methoxyphenol - 1-benzopyran - Tricarboxylic acid or derivatives - Styrene - Phenol ether - Anisole - Phenoxy compound - Catechol - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1,3-dicarbonyl compound - Oxane - Monocyclic benzene moiety - Monosaccharide - Fatty acyl - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Polyol - Organoheterocyclic compound - Carboxylic acid - Ether - Acetal - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen 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 (LMPK12010164) : Anthocyanidins