Compound Identification
SMILES
O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC(=O)C=C3OC(=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]1O
InChIKey
InChIKey=GHBMOLNNKFIAQQ-NMSUJPDISA-N
Formula
C39H38O21
Mass
842.712
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides
Direct Parent
Flavonoid 3-O-p-coumaroyl glycosides
Alternative Parents
Flavonoid-3-O-glycosides 4'-hydroxyflavonoids 3'-hydroxyflavonoids Phenolic glycosides Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Tricarboxylic acids and derivatives Styrenes Catechols 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids Monosaccharides Oxanes 1,3-dicarbonyl compounds Enoate esters Vinylogous esters Heteroaromatic compounds Cyclic ketones Secondary alcohols Polyols Oxacyclic compounds Acetals Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid 3-o-6-p-coumaroyl-glycoside - Flavonoid-3-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Phenolic glycoside - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Tricarboxylic acid or derivatives - Catechol - Styrene - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monosaccharide - Oxane - Benzenoid - Fatty acyl - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous ester - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - Polyol - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Acetal - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid 3-o-p-coumaroyl glycosides. These are flavonoid 3-O-glycosides where the carbohydrate moiety is esterified 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