DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:54 UTC
Update Date	2025-03-25 00:54:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207885
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₆N₂O₉
Molecular Mass	426.1638
SMILES	CC(C)CC(NC(=O)c1ccc(NC2OC(C(=O)O)C(O)C(O)C2O)cc1)C(=O)O
InChI Key	DBCJMDLNRWQVFL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	leucine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hippuric acids and derivatives hydrocarbon derivatives monosaccharides n-acyl-alpha amino acids n-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenylalkylamines pyran carboxylic acids secondary alcohols secondary alkylarylamines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound amino acid benzoyl monosaccharide pyran carboxylic acid benzamide n-glucuronide beta-hydroxy acid saccharide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol pyran carboxylic acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives hydroxy acid secondary amine carboxamide group secondary aliphatic/aromatic amine oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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