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CHEBI:207354 - Oxasetin

ChEBI IDCHEBI:207354
ChEBI NameOxasetin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29NO4
Net Charge0
Average Mass359.466
Monoisotopic Mass359.20966
SMILESCCC[C@@H]1C(C)=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)C1=C(O)C(=O)NC1=O
InChIInChI=1S/C21H29NO4/c1-5-6-14-12(3)10-13-9-11(2)7-8-15(13)21(14,4)18(24)16-17(23)20(26)22-19(16)25/h10-11,13-15H,5-9H2,1-4H3,(H2,22,23,25,26)/t11-,13+,14-,15-,21-/m1/s1
InChIKeyPGUSTONLIMHUIA-PGONBXCCSA-N
Species of MetaboliteComponentSourceComments
Vaginatispora (ncbitaxon:163257) - PubMed (12458773)
ChEBI Ontology
Outgoing Relation(s)
Oxasetin (CHEBI:207354) is a maleimides (CHEBI:55417)
IUPAC Name 
4-[(1S,2R,4aS,6R,8aR)-1,3,6-trimethyl-2-propyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-hydroxy-1H-pyrrole-2,3-dione
Manual XrefsDatabases
8536561ChemSpider