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CHEBI:228005 - Citrinovirin

ChEBI IDCHEBI:228005
ChEBI NameCitrinovirin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O2
Net Charge0
Average Mass290.447
Monoisotopic Mass290.22458
SMILESCCCC[C@@H](C)[C@@H]1[C@@H]2C=C[C@@H]3C(CC[C@H]3C)[C@]1(C)OC2=O
InChIInChI=1S/C19H30O2/c1-5-6-7-13(3)17-15-10-9-14-12(2)8-11-16(14)19(17,4)21-18(15)20/h9-10,12-17H,5-8,11H2,1-4H3/t12-,13-,14+,15+,16?,17-,19+/m1/s1
InChIKeyAAIRYAMDKLMESQ-PIGIOJKNSA-N
Species of MetaboliteComponentSourceComments
Trichoderma citrinoviride (ncbitaxon:58853) - PubMed (27612543)
ChEBI Ontology
Outgoing Relation(s)
Citrinovirin (CHEBI:228005) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1S,5R,6R,9S,12R)-12-[(2R)-hexan-2-yl]-1,5-dimethyl-11-oxatricyclo[7.2.1.02,6]dodec-7-en-10-one
Manual XrefsDatabases
58197326ChemSpider