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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:13:05 UTC
Update Date2025-03-24 22:38:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01235406
Frequency1.1
Structure
Chemical FormulaC22H13I6NO6
Molecular Mass1148.5011
SMILESNC(Cc1cc(I)c(Oc2cc(I)c(OC(=O)c3cc(I)c(O)c(I)c3)c(I)c2)c(I)c1)C(=O)O
InChI KeyLLUHFPDZXNHDEK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classdepsides and depsidones
Subclass depsides and depsidones
Direct Parent depsides and depsidones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 3-halobenzoic acids and derivatives
  • alpha amino acids
  • amphetamines and derivatives
  • aryl iodides
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • diarylethers
  • dicarboxylic acids and derivatives
  • diphenylethers
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • monoalkylamines
  • o-iodophenols
  • organic oxides
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol esters
  • phenol ethers
  • phenoxy compounds
  • phenylalanine and derivatives
  • phenylpropanoic acids
  • p-hydroxybenzoic acid esters
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 3-halobenzoic acid or derivatives
  • p-hydroxybenzoic acid ester
  • benzoyl
  • benzoate ester
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • amphetamine or derivatives
  • 2-iodophenol
  • benzoic acid or derivatives
  • halobenzoic acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • phenylalanine or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound
  • depside backbone