DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:10 UTC
Update Date	2025-03-25 01:02:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02254272
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₂O₅
Molecular Mass	296.1372
SMILES	CC(C)C(N=C(N)C(O)Cc1ccc(O)c(O)c1)C(=O)O
InChI Key	YJHZLYBZGCURGM-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 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amidines benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols
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 alcohol valine or derivatives organic 1,3-dipolar compound carboximidamide 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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