Compound Identification
SMILES
O[C@@H]1CO[C@@H](OC2C(O)[C@@H](O)C(CO[C@@H]3OC(COC(=O)\C=C\C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)C3O)O[C@H]2OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)C1O
InChIKey
InChIKey=AVYXHYMPVRRQIG-GRUWZBBUSA-O
Formula
C41H45O22
Mass
889.788
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
Oligosaccharides Anthocyanidin-3-O-glycosides Flavonoid-3-O-glycosides 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids Anthocyanidins Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Catechols Styrenes 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Oligosaccharide - Anthocyanin - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Coumaric acid ester - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Benzopyran - Styrene - Catechol - Fatty acid ester - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Oxane - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Oxacycle - Acetal - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Alcohol - 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 (LMPK12010103) : Anthocyanidins