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CHEBI:169727 - Iophendylate

ChEBI IDCHEBI:169727
ChEBI NameIophendylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H29IO2
Net Charge0
Average Mass416.343
Monoisotopic Mass416.12123
SMILESCCOC(=O)CCCCCCCCC(C)c1ccccc1I
InChIInChI=1S/C19H29IO2/c1-3-22-19(21)15-9-7-5-4-6-8-12-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,16H,3-9,12,15H2,1-2H3
InChIKeyIWRUDYQZPTVTPA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Iophendylate (CHEBI:169727) is a organoiodine compound (CHEBI:37142)
IUPAC Name 
ethyl 10-(2-iodophenyl)undecanoate
Manual XrefsDatabases
2301035ChemSpider
DB01187DrugBank
HMDB0015318HMDB
Registry NumbersSources
CAS:1320-11-2ChemIDplus