DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:48 UTC
Update Date	2025-03-25 01:00:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02241955
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₄I₂N₂O₅
Molecular Mass	637.9775
SMILES	CC(C)CC(NC(=O)C(N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O
InChI Key	AHBZFMRPEXGORD-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives aryl iodides carbonyl compounds carboxylic acids diarylethers diphenylethers fatty amides hydrocarbon derivatives iodobenzenes leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organoiodides organonitrogen compounds organopnictogen compounds phenol ethers phenoxy compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	diaryl ether fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organohalogen compound iodobenzene organoiodide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group aryl halide aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide 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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