DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:14 UTC
Update Date	2025-03-25 00:59:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238369
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₅IN₂O₇
Molecular Mass	485.9924
SMILES	O=C(O)C1=CC(=CC=NC(Cc2ccc(O)c(I)c2)C(=O)O)C(C(=O)O)N1
InChI Key	WWPDWMACWFXBCU-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 aldimines alpha amino acids amino acids amphetamines and derivatives aryl iodides azacyclic compounds carbonyl compounds carboxylic acids dialkylamines halophenols hydrocarbon derivatives iodobenzenes o-iodophenols organic oxides organoiodides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds pyrroline 2-carboxylic acids 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 organohalogen compound iodobenzene organoiodide propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives secondary aliphatic amine tyrosine or derivatives azacycle pyrroline carboxylic acid or derivatives 2-iodophenol organic 1,3-dipolar compound secondary amine pyrroline 2-carboxylic acid aryl halide 2-halophenol phenylalanine or derivatives organic oxygen compound pyrroline pyrroline carboxylic acid phenol hydrocarbon derivative benzenoid aryl iodide organic nitrogen compound halobenzene organooxygen compound amine

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