Compound Identification
SMILES
OCC1O[C@@H](OC2[C@@H](O)[C@@H](O)C(COC(=O)CC(O)=O)O[C@H]2OC2=C([O+]=C3C=C(O[C@@H]4OC(COC(=O)\C=C\C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)C4O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)=C2)C(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=RXADHNKAOTUHDK-VZYIAZKDSA-O
Formula
C60H63O37
Mass
1376.126
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 7-O-p-coumaroyl glycosides - Anthocyanidin 7-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 7-O-6-p-coumaroyl glycosides
Alternative Parents
Flavonoid O-glucuronides 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 Pentacarboxylic acids and derivatives Phenolic glycosides O-glucuronides Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds Disaccharides 1-benzopyrans Styrenes Phenoxy compounds Catechols Phenol ethers 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Oxanes 1,3-dicarbonyl compounds Pyrans Heteroaromatic compounds Enoate esters Secondary alcohols Carboxylic acids Oxacyclic compounds Polyols Acetals Organic oxides Primary alcohols Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 7-o-6-p-coumaroyl-glycoside - Flavonoid-3p-o-glucuronide - Anthocyanidin-3-o-glycoside - Anthocyanidin-3p-o-glycoside - Anthocyanidin-7-o-glycoside - Anthocyanin - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Pentacarboxylic acid or derivatives - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Phenol ether - Styrene - Catechol - Phenoxy compound - Beta-hydroxy acid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Pyran - Fatty acyl - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Hydroxy acid - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Alcohol - Organic oxygen compound - Carbonyl group - 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 (LMPK12010272) : Anthocyanidins