DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:54 UTC
Update Date	2025-03-25 00:48:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169062
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₂N₄O₄
Molecular Mass	392.2424
SMILES	CC(C)CC(N=C(O)C(N)Cc1ccc(O)cc1)C(N)=NC(C(=O)O)C(C)C
InChI Key	XSJQOPGFBQSDBI-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 amidines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboximidic acids carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	carboximidic acid 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 valine 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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