DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:02 UTC
Update Date	2025-03-25 00:48:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169354
Frequency	0.5
Structure
Chemical Formula	C₃₁H₃₉NO₁₈
Molecular Mass	713.2167
SMILES	CC(=O)NC1C(O)C(O)C(OCC2OC(Oc3cc(O)c4c(c3)OC(c3ccc(O)c(O)c3)CC4=O)C(O)C(O)C2O)OC1C(O)C(O)CO
InChI Key	QSXXRGBRVWZNON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids acetals acetamides alkyl aryl ethers aryl alkyl ketones benzene and substituted derivatives carboxylic acids and derivatives chromones flavanones hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers primary alcohols secondary alcohols secondary carboxylic acid amides vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative ketone saccharide organic oxide acetal chromone aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound chromane oxane primary alcohol organoheterocyclic compound acetamide flavonoid-7-o-glycoside alcohol benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid carboxamide group 3'-hydroxyflavonoid oxacycle secondary carboxylic acid amide vinylogous acid organic oxygen compound secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound aryl ketone

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