DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:31 UTC
Update Date	2025-03-25 00:50:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02181979
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₄N₂O₅
Molecular Mass	278.0903
SMILES	O=C(O)C(Cc1ccc(O)c(O)c1)N=C1CCC(O)=N1
InChI Key	NGYYWCIBVSMAIJ-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	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds pyrrolines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives tyrosine or derivatives azacycle organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid monocarboxylic acid or derivatives phenylalanine or derivatives pyrroline organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02181979