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CHEBI:34645 - clavulone IV

ChEBI IDCHEBI:34645
ChEBI Nameclavulone IV
Stars
Last Modified16 March 2015
DownloadsMolfile
FormulaC25H34O7
Net Charge0
Average Mass446.540
Monoisotopic Mass446.23045
SMILESCCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=C/[C@@H](CCC(=O)OC)OC(C)=O
InChIInChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11-,22-13+/t21-,25-/m0/s1
InChIKeyQXSYLWTUKSQQCP-FKVRNRQVSA-N
ChEBI Ontology
Outgoing Relation(s)
clavulone IV (CHEBI:34645) is a acetate ester (CHEBI:47622)
clavulone IV (CHEBI:34645) is a clavulone (CHEBI:36092)
clavulone IV (CHEBI:34645) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl (4R,5Z,7Z,14Z)-4,12-diacetoxy-9-oxo-12α-prosta-5,7,10,14-tetraen-1-oate
Synonym  Source
Clavulone IVKEGG COMPOUND
Manual XrefsDatabases
C13814KEGG COMPOUND
LMFA03120004LIPID MAPS
Registry NumbersSources
CAS:85611-86-5KEGG COMPOUND