DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:07 UTC
Update Date	2025-03-25 00:47:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160448
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₂N₂O₇
Molecular Mass	296.0645
SMILES	Nc1cc(C(=O)O)cc(C(=O)NC(CC(=O)O)C(=O)O)c1
InChI Key	LIXITWIBQCPUSY-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 amino acids benzoic acids benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl tricarboxylic acid or derivatives benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound benzoic acid n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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