DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:54 UTC
Update Date	2025-03-25 00:52:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02191917
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₆N₂O₁₆
Molecular Mass	572.2065
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(NC(C(=O)O)C(C)O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	OIORWIDCNIJOFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hemiaminals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids ketals monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid hemiaminal beta-hydroxy acid organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol secondary aliphatic amine pyran carboxylic acid or derivatives hydroxy acid secondary amine carboxamide group oxacycle secondary carboxylic acid amide pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine

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