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CHEBI:214911 - Penisporolide B

ChEBI IDCHEBI:214911
ChEBI NamePenisporolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCCCC(=O)CC[C@@H]1CC[C@@]2(C[C@@H]3OC(=O)C(C)(C)[C@@H]3O2)O1
InChIInChI=1S/C17H26O5/c1-4-5-11(18)6-7-12-8-9-17(21-12)10-13-14(22-17)16(2,3)15(19)20-13/h12-14H,4-10H2,1-3H3/t12-,13+,14-,17-/m1/s1
InChIKeyVSQDCUDZISJHTP-UMPJEAMMSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (17446691)
ChEBI Ontology
Outgoing Relation(s)
Penisporolide B (CHEBI:214911) is a furofuran (CHEBI:47790)
IUPAC Name 
(3aS,5R,5'R,6aS)-3,3-dimethyl-5'-(3-oxohexyl)spiro[6,6a-dihydro-3aH-uro[3,2-b]uran-5,2'-oxolane]-2-one
Manual XrefsDatabases
62816309ChemSpider