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CHEBI:198590 - Penostatin B

ChEBI IDCHEBI:198590
ChEBI NamePenostatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCCCCCCC/C=C/[C@@H]1O[C@H]2C(=O)C=C3C[C@@H](O)C[C@H]3[C@@H]2C=C1C
InChIInChI=1S/C22H32O3/c1-3-4-5-6-7-8-9-10-21-15(2)11-19-18-14-17(23)12-16(18)13-20(24)22(19)25-21/h9-11,13,17-19,21-23H,3-8,12,14H2,1-2H3/b10-9+/t17-,18-,19+,21+,22-/m1/s1
InChIKeyONCGMAFAIBLDNP-NCHXIBIBSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/0040-4039(95)02225-2)
ChEBI Ontology
Outgoing Relation(s)
Penostatin B (CHEBI:198590) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(3S,4aR,8S,9aS,9bS)-8-hydroxy-2-methyl-3-[(E)-non-1-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[]chromen-5-one
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8625628ChemSpider