DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:18:56 UTC
Update Date	2025-03-25 01:48:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02522979
Frequency	0.5
Structure
Chemical Formula	C₃₇H₆₄N₂O₂₈
Molecular Mass	984.3646
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C(N(C)C)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	QJONIKMXINIENT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	aminoglycosides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-aminoalcohols acetamides alkyl glycosides alpha-hydroxyaldehydes amino acids beta-hydroxy aldehydes c-glucuronides carboxylic acids fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide carboxylic acid derivative pyran carboxylic acid organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound aminoglycoside core organopnictogen compound oxane primary alcohol tertiary amine organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside 1,2-aminoalcohol tertiary aliphatic amine aldehyde carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative organic nitrogen compound amine alkyl glycoside

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