DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:28 UTC
Update Date	2025-03-25 01:01:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252722
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇N₃O₅
Molecular Mass	295.1168
SMILES	NC(CCc1cccc(O)c1N)=NC(CC(=O)O)C(=O)O
InChI Key	GMPKTASTMFEUEP-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amidines amino acids benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid 1-hydroxy-2-unsubstituted benzenoid amidine propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic 1,3-dipolar compound carboximidamide 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound 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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