Compound Identification
SMILES
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2OC2=C([O+]=C3C=C(O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C3=C2)C2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(O)C=C2)[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=OEZYIXBWDKPELC-FKPFCMAYSA-O
Formula
C57H61O33
Mass
1274.081
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 4'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins Phenolic glycosides O-glucuronides Cinnamic acid esters Coumaric acids and derivatives Disaccharides O-glycosyl compounds 1-benzopyrans Tricarboxylic acids and derivatives Phenoxy compounds Catechols Phenol ethers Styrenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives Fatty acid esters Pyrans Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Carboxylic acids Acetals Polyols Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Primary alcohols 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 - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - O-glucuronide - 1-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 - Tricarboxylic acid or derivatives - Phenol ether - Styrene - Catechol - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Beta-hydroxy acid - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Hydroxy acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Organic oxide - Organic oxygen compound - 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
Not available