DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:00 UTC
Update Date	2025-03-21 18:00:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00028991
Frequency	129.3
Structure
Chemical Formula	C₁₇H₁₄I₃NO₅
Molecular Mass	692.8006
SMILES	CC(=O)NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
InChI Key	XEXXOMFNYFGPBX-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetamides alpha amino acids amphetamines and derivatives aryl iodides carbonyl compounds carboxylic acids diarylethers diphenylethers halophenols hydrocarbon derivatives iodobenzenes monocarboxylic acids and derivatives n-acyl-alpha amino acids o-iodophenols organic oxides organoiodides organonitrogen compounds organopnictogen compounds phenol ethers phenoxy compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	diaryl ether phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid organohalogen compound iodobenzene organoiodide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid 2-iodophenol carboxamide group aryl halide aromatic homomonocyclic compound 2-halophenol secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid aryl iodide organic nitrogen compound halobenzene phenoxy compound diphenylether organooxygen compound

Showing information for DMID00028991