DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:51 UTC
Update Date	2025-03-25 01:02:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02255838
Frequency	0.5
Structure
Chemical Formula	C₃₉H₆₅N₃O₃₀
Molecular Mass	1055.3653
SMILES	CC(=O)NC1C(O)C(O)C(OCC2OC(CO)C(O)C(OC3C(O)C(NC(C)=O)C(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C(NC(C)=O)C3O)O2)(C(=O)O)OC1C(O)C(O)CO
InChI Key	OWHVBHIHHZGPKJ-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 acids and derivatives beta-hydroxy aldehydes c-glucuronides carboxylic acids cyclitols and derivatives cyclohexanols dialkyl ethers hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids 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 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 cyclohexanol aldehyde cyclitol or derivatives hydroxy acid cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative organic nitrogen compound meta-dioxane organooxygen compound alkyl glycoside

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