Compound Identification
SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](OC3=C([O+]=C4C=C(O[C@@H]5O[C@H](COC(=O)\C=C\C6=CC(O)=C(O)C=C6)[C@@H](O)[C@@H](O)[C@H]5O)C=C(O)C4=C3)C3=CC(O)=C(O)C(O[C@@H]4O[C@@H]([C@H](O)[C@@H](O)[C@H]4O)C(O)=O)=C3)O[C@H](COC(=O)CC(=O)OC(C(O)C(O)=O)C(O)=O)[C@H](O)[C@H]2O)[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H]1O
InChIKey
InChIKey=DNKBHPVEIROVRU-BWKWRUJYSA-O
Formula
C64H67O42
Mass
1508.197
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 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 Phenolic glycosides O-glucuronides Coumaric acids and derivatives Cinnamic acid esters Disaccharides O-glycosyl compounds 1-benzopyrans Catechols Phenoxy compounds Styrenes Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives Fatty acid esters 1,3-dicarbonyl compounds Oxanes Alpha hydroxy acids and derivatives Pyrans Heteroaromatic compounds Enoate esters Secondary alcohols Carboxylic acids Oxacyclic compounds Acetals Polyols 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 - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - Disaccharide - 1-benzopyran - Benzopyran - Phenoxy compound - Phenol ether - Catechol - Styrene - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Alpha-hydroxy acid - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Pyran - Oxane - Fatty acyl - Hydroxy acid - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Carboxylic acid - Oxacycle - Carboxylic acid derivative - Acetal - Hydrocarbon derivative - Alcohol - Primary alcohol - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - 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