DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:58 UTC
Update Date	2025-03-25 01:01:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02249326
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₈O₁₂
Molecular Mass	496.1581
SMILES	COc1cc(CC(COC2OC(CO)C(O)C(O)C2O)C(=O)c2c(O)cc(O)cc2O)ccc1O
InChI Key	BNOPAAIOEVZLNQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	linear 1,3-diarylpropanoids
Subclass	chalcones and dihydrochalcones
Direct Parent	2'-hydroxy-dihydrochalcones
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals acylphloroglucinols and derivatives alkyl aryl ethers alkyl glycosides alkyl-phenylketones anisoles aryl alkyl ketones benzoyl derivatives butyrophenones cinnamylphenols fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds primary alcohols secondary alcohols vinylogous acids
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety ether 2'-hydroxy-dihydrochalcone aryl alkyl ketone aromatic heteromonocyclic compound benzoyl 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide cinnamylphenol alkyl aryl ether ketone phloroglucinol derivative saccharide organic oxide acetal oxane primary alcohol organoheterocyclic compound acylphloroglucinol derivative alcohol benzenetriol 1-hydroxy-4-unsubstituted benzenoid methoxybenzene phenylketone butyrophenone oxacycle vinylogous acid organic oxygen compound anisole secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound alkyl-phenylketone organooxygen compound alkyl glycoside aryl ketone

Showing information for DMID02249326