DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:37 UTC
Update Date	2025-03-25 00:56:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218946
Frequency	0.5
Structure
Chemical Formula	C₂₆H₃₈O₁₇
Molecular Mass	622.2109
SMILES	COc1ccc(CC(CCC(=O)OCOC2OC(C(=O)O)C(O)C(O)C2O)COC2OC(CO)C(O)C(O)C2O)cc1O
InChI Key	CFXHJTNBCWJACW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers alkyl glycosides anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds primary alcohols pyran carboxylic acids secondary alcohols
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal oxane primary alcohol organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle fatty acid ester organic oxygen compound pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

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