Compound Identification
SMILES
OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C(=O)OC[C@H]3O[C@@H](OC4=C(OC5=CC(=O)C=C(O[C@@H]6O[C@H](COC(=O)CC([O-])=O)[C@@H](O)[C@H](O)[C@H]6O)C5=C4)C4=CC(O)=C(O)C=C4)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H]3O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=MQNHSSSWTWCFJM-RBRVVFPSSA-M
Formula
C50H55O30
Mass
1135.961
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 Cinnamic acid esters Disaccharides O-glycosyl compounds 1-benzopyrans Tricarboxylic acids and derivatives Styrenes Catechols Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids 1,3-dicarbonyl compounds Oxanes Vinylogous esters Heteroaromatic compounds Enoate esters Carboxylic acid salts Cyclic ketones Secondary alcohols Carboxylic acids Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Primary alcohols Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid 3-o-6-p-coumaroyl-glycoside - Flavonoid-3-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Phenolic glycoside - Cinnamic acid or derivatives - Cinnamic acid ester - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Tricarboxylic acid or derivatives - Phenoxy compound - Catechol - Phenol ether - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Benzenoid - Oxane - 1,3-dicarbonyl compound - Fatty acyl - Heteroaromatic compound - Vinylogous ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic ketone - Carboxylic acid salt - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Alcohol - Primary alcohol - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic anion - 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