EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198728 - Penisporolide A

ChEBI IDCHEBI:198728
ChEBI NamePenisporolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O5
Net Charge0
Average Mass326.433
Monoisotopic Mass326.20932
SMILESCC[C@H](O)CCCC[C@@H]1CC[C@@]2(C[C@@H]3OC(=O)C(C)(C)[C@@H]3O2)O1
InChIInChI=1S/C18H30O5/c1-4-12(19)7-5-6-8-13-9-10-18(22-13)11-14-15(23-18)17(2,3)16(20)21-14/h12-15,19H,4-11H2,1-3H3/t12-,13+,14-,15+,18+/m0/s1
InChIKeyBJYDMDQYCGNRKX-CGSPGFDNSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (17446691)
ChEBI Ontology
Outgoing Relation(s)
Penisporolide A (CHEBI:198728) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(3aS,5R,5'R,6aS)-5'-[(5S)-5-hydroxyheptyl]-3,3-dimethylspiro[6,6a-dihydro-3aH-uro[3,2-b]uran-5,2'-oxolane]-2-one
Manual XrefsDatabases
78436396ChemSpider