DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:46 UTC
Update Date	2025-03-25 00:46:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02157491
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₁NO₉
Molecular Mass	405.1999
SMILES	O=C(O)CCCCCCCCCCC(=O)NC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	IOCUAHHCCOBRDY-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
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	amino fatty acids aminosaccharides beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monosaccharides n-acyl amines n-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	carbonyl group carboxylic acid glucuronic acid or derivatives heterocyclic fatty acid fatty amide monosaccharide fatty acid carboxylic acid derivative pyran carboxylic acid medium-chain hydroxy acid n-glucuronide beta-hydroxy acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid oxane organoheterocyclic compound alcohol amino saccharide pyran carboxylic acid or derivatives hydroxy acid fatty n-acyl glycoside carboxamide group amino fatty acid n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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