Compound Identification
SMILES
OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C(=O)OC[C@H]3O[C@@H](OC4=CC(=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C4O)C4=C(O[C@@H]5O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]5O)C=C5C(O)=CC(O)=CC5=[O+]4)[C@H](O)[C@@H](O)[C@@H]3O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=LLDMWHWRSUPHJJ-JVGMYVFSSA-O
Formula
C51H59O32
Mass
1184.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- 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 3p-O-p-coumaroyl glycosides - Anthocyanidin 3p-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 3p-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Anthocyanin-3'-O-glycosides Flavonoid-3-O-glycosides 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Cinnamic acid esters O-glycosyl compounds 1-benzopyrans Tricarboxylic acids and derivatives Styrenes Phenoxy compounds Phenol ethers Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monosaccharides 1,3-dicarbonyl compounds Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Acetals Polyols Oxacyclic compounds Carboxylic acids Primary alcohols Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3p-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-3p-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Cinnamic acid ester - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1,3-dicarbonyl compound - Oxane - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Fatty acyl - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Polyol - Acetal - Carboxylic acid - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Primary alcohol - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin 3p-o-6-p-coumaroyl glycosides. These are anthocyanidin 3p-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