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CHEBI:223591 - Penostatin C

ChEBI IDCHEBI:223591
ChEBI NamePenostatin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O2
Net Charge0
Average Mass326.480
Monoisotopic Mass326.22458
SMILESCCCCCCC/C=C/[C@@H]1O[C@H]2C(=O)C=C3C=CC[C@H]3[C@@H]2C=C1C
InChIInChI=1S/C22H30O2/c1-3-4-5-6-7-8-9-13-21-16(2)14-19-18-12-10-11-17(18)15-20(23)22(19)24-21/h9-11,13-15,18-19,21-22H,3-8,12H2,1-2H3/b13-9+/t18-,19+,21+,22-/m1/s1
InChIKeyHWLGMVWNJRZMKV-MHNZBMDGSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/0040-4039(95)02225-2)
ChEBI Ontology
Outgoing Relation(s)
Penostatin C (CHEBI:223591) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(3S,4aR,9aS,9bS)-2-methyl-3-[(E)-non-1-enyl]-4a,9,9a,9b-tetrahydro-3H-cyclopenta[]chromen-5-one
Manual XrefsDatabases
8240508ChemSpider