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-N
Formula
C50H56O30
Mass
1136.968
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 Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,3-dicarbonyl compounds Oxanes Vinylogous esters Heteroaromatic compounds Enoate esters Secondary alcohols Cyclic ketones Carboxylic acids Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid 3-o-6-p-coumaroyl-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Phenolic glycoside - Cinnamic acid or derivatives - Cinnamic acid ester - Disaccharide - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Tricarboxylic acid or derivatives - Catechol - Phenol ether - Phenoxy compound - Styrene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - 1,3-dicarbonyl compound - Benzenoid - Oxane - Fatty acyl - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Acetal - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organic oxygen compound - Primary alcohol - Organooxygen compound - Alcohol - Hydrocarbon derivative - 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