DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:54 UTC
Update Date	2025-03-25 00:54:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205602
Frequency	0.5
Structure
Chemical Formula	C₁₈H₁₇N₃O₇
Molecular Mass	387.1066
SMILES	Nc1c(O)cccc1CC(N=CC=C1C=C(C(=O)O)NC(C(=O)O)=C1)C(=O)O
InChI Key	QZQNPQLDDDYTLB-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids aldimines alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dihydropyridines hydrocarbon derivatives organic oxides organopnictogen compounds phenylpropanoic acids primary amines propargyl-type 1,3-dipolar organic compounds tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid imine 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dihydropyridine organoheterocyclic compound amphetamine or derivatives secondary aliphatic amine azacycle organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid secondary amine phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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