DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:26 UTC
Update Date	2025-03-25 00:59:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236562
Frequency	0.5
Structure
Chemical Formula	C₁₉H₁₆I₂N₂O₄
Molecular Mass	589.92
SMILES	COc1ccc2nccc(Oc3c(I)cc(CC(N)C(=O)O)cc3I)c2c1
InChI Key	KXQLNDGXLSAICS-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 heteropolycyclic compounds
Alternative Parents	2-halopyridines alkyl aryl ethers alpha amino acids amphetamines and derivatives anisoles aryl iodides azacyclic compounds carbonyl compounds carboxylic acids diarylethers heteroaromatic compounds hydrocarbon derivatives hydroxypyridines iodobenzenes methylpyridines monoalkylamines monocarboxylic acids and derivatives organic oxides organoiodides organonitrogen compounds organopnictogen compounds phenoxy compounds phenylpropanoic acids polyhalopyridines quinolines and derivatives
Substituents	diaryl ether phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid polyhalopyridine alkyl aryl ether organohalogen compound iodobenzene organoiodide organic oxide aromatic heteropolycyclic compound organonitrogen compound quinoline alpha-amino acid organopnictogen compound 2-halopyridine organoheterocyclic compound amphetamine or derivatives azacycle heteroaromatic compound hydroxypyridine methylpyridine aryl halide monocarboxylic acid or derivatives pyridine phenylalanine or derivatives organic oxygen compound anisole hydrocarbon derivative benzenoid primary aliphatic amine aryl iodide organic nitrogen compound halobenzene phenoxy compound organooxygen compound

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