DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:36:03 UTC
Update Date	2025-03-24 20:49:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01577268
Frequency	0.8
Structure
Chemical Formula	C₄₉H₈₂N₂O₄₀
Molecular Mass	1338.4444
SMILES	CC(=O)NC1C(COC2(C(=O)O)OC(C(O)C(O)CO)C(O)C(O)C2O)OC(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)C(NC(C)=O)C1OC1C(O)C(COC2OC(CO)C(O)C(O)C2O)OC(OC2C(CO)OC(O)C(O)C2O)C1O
InChI Key	QAKIOSXLMPVCBL-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	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl glycosides alpha-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes c-glucuronides carboxylic acids dialkyl ethers glucuronic acid derivatives hemiacetals hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group ether carboxylic acid glucuronic acid or derivatives monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether beta-hydroxy acid saccharide organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives aldehyde hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound alkyl glycoside

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