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CHEBI:229877 - 7-acetoxy-7,8-dihydroiodovulone i

ChEBI IDCHEBI:229877
ChEBI Name7-acetoxy-7,8-dihydroiodovulone i
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33IO6
Net Charge0
Average Mass532.415
Monoisotopic Mass532.13219
SMILESCCCCC/C=C\C[C@@]1(O)C=C(I)C(=O)[C@@H]1[C@H](/C=C\CCCC(=O)OC)OC(C)=O
InChIInChI=1S/C23H33IO6/c1-4-5-6-7-8-12-15-23(28)16-18(24)22(27)21(23)19(30-17(2)25)13-10-9-11-14-20(26)29-3/h8,10,12-13,16,19,21,28H,4-7,9,11,14-15H2,1-3H3/b12-8-,13-10-/t19-,21-,23+/m0/s1
InChIKeyPHLDSBOKGDMUEL-WAALSUGPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
7-acetoxy-7,8-dihydroiodovulone i (CHEBI:229877) is a clavulone (CHEBI:36092)
IUPAC Name 
methyl (Z,7S)-7-acetyloxy-7-[(1R,2S)-2-hydroxy-4-iodo-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
Manual XrefsDatabases
8432000ChemSpider
LMFA03120055LIPID MAPS