DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:04 UTC
Update Date	2025-03-25 00:47:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160325
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₅N₃O₇
Molecular Mass	325.091
SMILES	Nc1c(O)cccc1C(=O)NC(CC(=O)O)C(=O)NCC(=O)O
InChI Key	INMNWPAWBOJLRM-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids aspartic acid and derivatives benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides hippuric acids and derivatives hydrocarbon derivatives n-acyl amines organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid fatty amide benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha peptide benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide alpha-amino acid amide hippuric acid or derivatives benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acyl-amine n-acylglycine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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