DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:57 UTC
Update Date	2025-03-25 00:54:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203407
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₈N₂O₈
Molecular Mass	354.1063
SMILES	O=C(O)CC(NC(=O)c1ccc(NCCC(O)C(=O)O)cc1)C(=O)O
InChI Key	IMLBZPAWWPBPCE-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	aspartic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids alpha hydroxy acids and derivatives amino acids benzoyl derivatives carbonyl compounds carboxylic acids gamma amino acids and derivatives hippuric acids and derivatives hydrocarbon derivatives monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid gamma amino acid or derivatives alpha-hydroxy acid benzoyl monosaccharide tricarboxylic acid or derivatives benzamide saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives hydroxy acid secondary amine carboxamide group secondary aliphatic/aromatic amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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