DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 03:54:59 UTC
Update Date	2025-03-21 23:00:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00615899
Frequency	2.6
Structure
Chemical Formula	C₄₆H₇₆N₂O₃₇
Molecular Mass	1248.4127
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)OC3CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	VTEGTNXWMFRWFV-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	1,3-dioxanes acetamides alkyl glycosides alpha-hydroxyaldehydes beta-hydroxy aldehydes c-glucuronides carboxylic acid orthoesters carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives ketals monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters 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 ortho ester monosaccharide carboxylic acid orthoester carboxylic acid derivative pyran carboxylic acid saccharide organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound orthocarboxylic acid derivative oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives aldehyde carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound meta-dioxane organooxygen compound alkyl glycoside

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