DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:16 UTC
Update Date	2025-03-21 18:02:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00041525
Frequency	82.7
Structure
Chemical Formula	C₁₁H₁₃N₃O₅
Molecular Mass	267.0855
SMILES	NC(=O)NC(CC(=O)c1cccc(O)c1N)C(=O)O
InChI Key	LNBCRADCGXNKBP-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	n-carbamoyl-alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl-phenylketones alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids gamma-keto acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic carbonic acids and derivatives organic oxides organopnictogen compounds primary amines vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide carbonic acid derivative n-carbamoyl-alpha-amino acid 1-hydroxy-4-unsubstituted benzenoid phenylketone gamma-keto acid butyrophenone aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound keto acid phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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