DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:44 UTC
Update Date	2025-03-25 00:52:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02193739
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₇NO₉
Molecular Mass	425.1686
SMILES	CN(C)CC(c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1)C1CCC(=O)O1
InChI Key	HNDJKHSVEFKIKP-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	acetals alkyl glycosides amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives gamma butyrolactones glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols tetrahydrofurans trialkylamines
Substituents	fatty acyl glycoside of mono- or disaccharide phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound amino acid or derivatives amino acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid lactone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound organopnictogen compound oxane tertiary amine organoheterocyclic compound alcohol pyran carboxylic acid or derivatives tetrahydrofuran tertiary aliphatic amine hydroxy acid gamma butyrolactone oxacycle organic oxygen compound pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine organooxygen compound alkyl glycoside

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