DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:16 UTC
Update Date	2025-03-25 00:50:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179107
Frequency	0.5
Structure
Chemical Formula	C₂₈H₂₈O₁₃
Molecular Mass	572.153
SMILES	COc1ccc(C2CC(=O)c3c(cc(-c4ccc(O)c(O)c4)c(OC4OC(CO)C(O)C(O)C4O)c3O)O2)cc1O
InChI Key	KSBXVAXDVKCCAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-o-methylated flavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones chromones flavanones hydrocarbon derivatives linear diarylheptanoids methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds primary alcohols secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone 1-benzopyran flavanone flavan 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether ketone saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane oxane primary alcohol organoheterocyclic compound alcohol benzopyran flavonoid-6-o-glycoside 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene flavonoid o-glycoside 3'-hydroxyflavonoid oxacycle vinylogous acid organic oxygen compound anisole secondary alcohol 4p-methoxyflavonoid-skeleton phenol linear 1,7-diphenylheptane skeleton hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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