Compound Identification
SMILES
OC[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@H]1OC1=CC(O)=CC2=[O+]C(=C(O[C@H]3O[C@@H](COC(=O)\C=C\C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]3O)C=C12)C1=CC=C(O)C=C1
InChIKey
InChIKey=CWBYCWZFGJITJP-VCYCNMASSA-O
Formula
C36H37O17
Mass
741.674
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
-
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 3-O-p-coumaroyl glycosides - Anthocyanidin 3-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 3-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Anthocyanidin-5-O-glycosides Flavonoid-3-O-glycosides 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Styrenes 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Monosaccharides Oxanes Heteroaromatic compounds Enoate esters Secondary alcohols Hemiacetals Oxacyclic compounds Monocarboxylic acids and derivatives Polyols Acetals Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Coumaric acid ester - Cinnamic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Benzopyran - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monosaccharide - Oxane - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Acetal - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin 3-o-6-p-coumaroyl glycosides. These are anthocyanidin 3-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