Compound Identification
SMILES
OCC1O[C@@H](OC2=CC=C(\C=C\C(=O)OC[C@H]3O[C@@H](OC4=CC=C(\C=C\C(=O)OC[C@H]5O[C@@H](OC6=C(O)C=CC(=C6)C6=C(O[C@@H]7O[C@H](COC(=O)CC(O)=O)[C@@H](O)C(O)C7O)C=C7C(O)=CC(O[C@@H]8OC(COC(=O)\C=C\C9=CC=C(O)C=C9)[C@@H](O)[C@H](O)C8O)=CC7=[O+]6)C(O)C(O)[C@@H]5O)C=C4)C(O)C(O)[C@@H]3O)C=C2)C(O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=DIBOOPKUGMVTHI-YYLMVHBSSA-O
Formula
C75H81O40
Mass
1622.432
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Anthocyanidin 3p-O-6-p-coumaroyl glycosides Anthocyanidin-3-O-glycosides Anthocyanidin-7-O-Glycosides Anthocyanin-3'-O-glycosides Flavonoid-3-O-glycosides Flavonoid-7-O-glycosides 4'-hydroxyflavonoids 5-hydroxyflavonoids Pentacarboxylic acids and derivatives Anthocyanidins Phenolic glycosides Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Phenoxy compounds Phenol ethers Styrenes Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monosaccharides 1,3-dicarbonyl compounds Oxanes Enoate esters Heteroaromatic compounds Secondary alcohols Acetals Oxacyclic compounds Polyols Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 7-o-6-p-coumaroyl-glycoside - Flavonoid 3p-o-6-p-coumaroyl-glycoside - Anthocyanidin 3p-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-7-o-glycoside - Anthocyanidin-3p-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Pentacarboxylic acid or derivatives - Anthocyanidin - Phenolic glycoside - Coumaric acid ester - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Styrene - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Oxane - Benzenoid - Fatty acyl - Monosaccharide - 1,3-dicarbonyl compound - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Polyol - Oxacycle - Organoheterocyclic compound - Acetal - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Primary alcohol - 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 (LMPK12010203) : Anthocyanidins