Compound Identification
SMILES
[Cl-].OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC=C(O)C=C5)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=LTJGCRUJQNXXTN-DTBMBSLQSA-N
Formula
C36H37ClO18
Mass
793.12
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 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 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Styrenes Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Monosaccharides Oxanes Enoate esters Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Organic chloride salts Carbonyl compounds Organic oxides Organic zwitterions Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanidin-3-o-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanin - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Coumaric acid ester - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Catechol - Styrene - Phenol - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Polyol - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Primary alcohol - Organic salt - Organic oxide - Organic chloride salt - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Carbonyl group - Organic zwitterion - Organooxygen compound - 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