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CHEBI:179352 - iodovulone I

ChEBI IDCHEBI:179352
ChEBI Nameiodovulone I
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FormulaC21H29IO4
Net Charge0
Average Mass472.363
Monoisotopic Mass472.11106
SMILESCCCCC/C=C\C[C@@]1(O)C=C(I)C(=O)/C1=C/C=C\CCCC(=O)OC
InChIInChI=1S/C21H29IO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13-/t21-/m1/s1
InChIKeyWBVIHDHLOOPYQN-DJKWDOPVSA-N
ChEBI Ontology
Outgoing Relation(s)
iodovulone I (CHEBI:179352) is a clavulone (CHEBI:36092)
IUPAC Name 
methyl (Z,7E)-7-[(2R)-2-hydroxy-4-iodo-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
Manual XrefsDatabases
LMFA03120014LIPID MAPS
4446349ChemSpider