DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:43 UTC
Update Date	2025-03-25 00:49:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173249
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₁N₃O₃
Molecular Mass	279.1583
SMILES	CCC(C)C(N=C(O)CN)C(=O)Nc1ccc(O)cc1
InChI Key	YJVGYIPDTHSPRS-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	isoleucine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids anilides carbonyl compounds carboximidic acids carboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines n-arylamides organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group fatty amide 1-hydroxy-2-unsubstituted benzenoid n-arylamide propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives alpha-amino acid amide organic 1,3-dipolar compound carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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