EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:165258 - Clavirin II

ChEBI IDCHEBI:165258
ChEBI NameClavirin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILESCCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C/C=O
InChIInChI=1S/C17H22O4/c1-3-4-5-6-7-8-11-17(21-14(2)19)12-9-16(20)15(17)10-13-18/h7-10,12-13H,3-6,11H2,1-2H3/b8-7-,15-10-/t17-/m0/s1
InChIKeyGQEGEZIKMJIZMB-HYNJITEOSA-N
ChEBI Ontology
Outgoing Relation(s)
Clavirin II (CHEBI:165258) is a clavulone (CHEBI:36092)
IUPAC Name 
[(1S,5E)-1-[(Z)-oct-2-enyl]-4-oxo-5-(2-oxoethylidene)cyclopent-2-en-1-yl] acetate
Manual XrefsDatabases
LMFA03120026LIPID MAPS
4446362ChemSpider