DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:47:09 UTC
Update Date	2025-03-21 18:01:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00031703
Frequency	115.9
Structure
Chemical Formula	C₁₂H₁₇N₃O₃
Molecular Mass	251.127
SMILES	CC(N=C(N)C(N)Cc1ccc(O)cc1)C(=O)O
InChI Key	OUQKQBGLQPQEJJ-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	alanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amidines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 1-hydroxy-2-unsubstituted benzenoid amidine propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives organic 1,3-dipolar compound carboximidamide aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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