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CHEBI:198264 - Penostatin J

ChEBI IDCHEBI:198264
ChEBI NamePenostatin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILESCCCCCCCC=C[C@@H]1O[C@@]2(O)C(=O)C=C3C=CC[C@H]3[C@@H]2C=C1C
InChIInChI=1S/C22H30O3/c1-3-4-5-6-7-8-9-13-20-16(2)14-19-18-12-10-11-17(18)15-21(23)22(19,24)25-20/h9-11,13-15,18-20,24H,3-8,12H2,1-2H3/t18-,19+,20+,22-/m1/s1
InChIKeyGRTGLCHTLKJYRN-FCIYXJNOSA-N
Species of MetaboliteComponentSourceComments
Cordyceps tenuipes (ncbitaxon:45847) - PubMed (24481115)
ChEBI Ontology
Outgoing Relation(s)
Penostatin J (CHEBI:198264) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(3S,4aR,9aS,9bS)-4a-hydroxy-2-methyl-3-non-1-enyl-3,9,9a,9b-tetrahydrocyclopenta[]chromen-5-one