DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:23:31 UTC
Update Date	2025-03-25 01:49:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02533492
Frequency	0.5
Structure
Chemical Formula	C₅₁H₈₅N₃O₄₀
Molecular Mass	1379.4709
SMILES	CC(=O)NC1C(O)CC(OC2OC(OC3C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C(NC(C)=O)C(OC3C(O)C(CO)OC(OC4OC(CO)C(O)C(OC(C(O)CO)C(O)C(O)C=O)C4O)C3O)C(NC(C)=O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	WQIZVMOIRGRASA-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 aldehydes c-glucuronides carboxylic acids dialkyl ethers hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes oxepanes 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 monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether saccharide organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives aldehyde carboxamide group oxepane 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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