DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:09 UTC
Update Date	2025-03-25 00:59:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240436
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₃I₂NO₈S
Molecular Mass	620.8451
SMILES	NC(Cc1ccc(Oc2ccc(O)c(I)c2OS(=O)(=O)O)c(I)c1)C(=O)O
InChI Key	WTVLCPUEHRAROI-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 alpha amino acids amphetamines and derivatives aryl iodides carbonyl compounds carboxylic acids diarylethers diphenylethers halophenols hydrocarbon derivatives iodobenzenes monoalkylamines monocarboxylic acids and derivatives o-iodophenols organic oxides organoiodides organonitrogen compounds organopnictogen compounds phenol ethers phenoxy compounds phenylpropanoic acids phenylsulfates sulfuric acid monoesters
Substituents	diaryl ether phenol ether monocyclic benzene moiety sulfuric acid monoester carbonyl group ether carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid organohalogen compound iodobenzene organoiodide phenylsulfate organic oxide organonitrogen compound alpha-amino acid organopnictogen compound arylsulfate amphetamine or derivatives organic sulfuric acid or derivatives 2-iodophenol aryl halide aromatic homomonocyclic compound 2-halophenol monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound sulfate-ester phenol hydrocarbon derivative benzenoid primary aliphatic amine aryl iodide organic nitrogen compound halobenzene phenoxy compound sulfuric acid ester diphenylether organooxygen compound

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