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CHEBI:217009 - Chlorovulone III

ChEBI IDCHEBI:217009
ChEBI NameChlorovulone III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29ClO4
Net Charge0
Average Mass380.912
Monoisotopic Mass380.17544
SMILESCCCCC/C=C\C[C@]1(O)C=C(Cl)C(=O)/C1=C\C=C\CCCC(=O)OC
InChIInChI=1S/C21H29ClO4/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-/m0/s1
InChIKeyCTIZPKYMYVPNGA-NSADSDBKSA-N
Species of MetaboliteComponentSourceComments
Clavularia viridis (ncbitaxon:153213) - DOI (10.1016/s0040-4039(00)98927-5)
ChEBI Ontology
Outgoing Relation(s)
Chlorovulone III (CHEBI:217009) is a clavulone (CHEBI:36092)
IUPAC Name 
methyl (E,7Z)-7-[4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
Manual XrefsDatabases
10470969ChemSpider