DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:31 UTC
Update Date	2025-03-25 00:57:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223373
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₀Cl₃I₂NO₄
Molecular Mass	626.7765
SMILES	NC(Cc1cc(I)c(Oc2cc(Cl)c(Cl)c(O)c2Cl)c(I)c1)C(=O)O
InChI Key	KTMWBXUMGKITTP-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-4-unsubstituted benzenoids alpha amino acids amphetamines and derivatives aryl chlorides aryl iodides carbonyl compounds carboxylic acids chlorobenzenes diarylethers diphenylethers halophenols hydrocarbon derivatives iodobenzenes m-chlorophenols monoalkylamines monocarboxylic acids and derivatives o-chlorophenols organic oxides organochlorides organoiodides organonitrogen compounds organopnictogen compounds phenol ethers phenoxy compounds phenylpropanoic acids
Substituents	diaryl ether phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid organochloride organohalogen compound iodobenzene organoiodide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives aryl chloride 2-chlorophenol chlorobenzene 3-halophenol 3-chlorophenol 1-hydroxy-4-unsubstituted benzenoid aryl halide aromatic homomonocyclic compound 2-halophenol monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine aryl iodide organic nitrogen compound halobenzene phenoxy compound diphenylether organooxygen compound

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