DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:55 UTC
Update Date	2025-03-21 18:28:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00073956
Frequency	98.6
Structure
Chemical Formula	C₂₀H₃₁N₃O₅
Molecular Mass	393.2264
SMILES	CC(C)CC(N=C(O)C(N)Cc1ccc(O)cc1)C(O)=NC(C(=O)O)C(C)C
InChI Key	CDKZJGMPZHPAJC-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	valine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives valine or derivatives organic 1,3-dipolar compound 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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