DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:58 UTC
Update Date	2025-03-21 17:58:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00013121
Frequency	343.0
Structure
Chemical Formula	C₁₉H₂₄O₁₁
Molecular Mass	428.1319
SMILES	COC(=O)C1OC(Oc2c(O)cc(CC3CCC(=O)O3)cc2OC)C(O)C(O)C1O
InChI Key	VMWLDKCOHMVZJB-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 dicarboxylic acids and derivatives gamma butyrolactones glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols methyl esters monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols tetrahydrofurans
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group ether glucuronic acid or derivatives aromatic heteromonocyclic compound methoxyphenol o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid lactone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide methyl ester acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene gamma butyrolactone oxacycle organic oxygen compound pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

Showing information for DMID00013121