EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:34642 - clavulone I

ChEBI IDCHEBI:34642
ChEBI Nameclavulone I
Stars
Last Modified13 October 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-NTJQXXRSSA-N
ChEBI Ontology
Outgoing Relation(s)
clavulone I (CHEBI:34642) is a acetate ester (CHEBI:47622)
clavulone I (CHEBI:34642) is a clavulone (CHEBI:36092)
clavulone I (CHEBI:34642) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl (4R,5Z,7E,14Z)-4,12-bis(acetyloxy)-9-oxo-12α-prosta-5,7,10,14-tetraen-1-oate
Synonym  Source
Clavulone IKEGG COMPOUND
Manual XrefsDatabases
C13810KEGG COMPOUND
LMFA03120001LIPID MAPS
Registry NumbersSources
Beilstein:3658161Beilstein
CAS:85700-42-1KEGG COMPOUND