DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:49 UTC
Update Date	2025-03-21 17:59:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00023881
Frequency	163.9
Structure
Chemical Formula	C₁₅H₂₃N₃O₃
Molecular Mass	293.1739
SMILES	CC(C)CC(N=C(N)C(N)Cc1ccc(O)cc1)C(=O)O
InChI Key	RSLHMBIDWGRRAP-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	leucine 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 leucine or derivatives 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 phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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