DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:27:12 UTC
Update Date	2025-03-25 01:26:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02402015
Frequency	0.5
Structure
Chemical Formula	C₄₁H₆₇N₃O₃₂
Molecular Mass	1113.3708
SMILES	CC(=O)NC1C(COC2(C(=O)O)OC(C(O)CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)OC(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)C(NC(C)=O)C1O
InChI Key	KSSXMKVZFWGUIN-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 dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives ketals 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 carboxylic acid glucuronic acid or derivatives monosaccharide carboxylic acid derivative pyran carboxylic acid beta-hydroxy acid 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 hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound alkyl glycoside

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