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CHEBI:202578 - Ophiobolin J

ChEBI IDCHEBI:202578
ChEBI NameOphiobolin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O4
Net Charge0
Average Mass400.559
Monoisotopic Mass400.26136
SMILESCC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)/C4=C(\CO)[C@@H](O)C[C@H]32)O1
InChIInChI=1S/C25H36O4/c1-14(2)8-17-10-16(4)25(29-17)7-6-24(5)12-18-15(3)9-21(28)23(18)19(13-26)20(27)11-22(24)25/h8-9,16-18,20,22,26-27H,6-7,10-13H2,1-5H3/b23-19+/t16-,17-,18+,20-,22+,24+,25-/m0/s1
InChIKeyLFYREHKMIHWZQF-NULHPQIKSA-N
Species of MetaboliteComponentSourceComments
Bipolaris oryzae (ncbitaxon:101162) - DOI (10.1021/jo00245a008)
ChEBI Ontology
Outgoing Relation(s)
Ophiobolin J (CHEBI:202578) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'R,5R,7'E,9'S,11'R)-9'-hydroxy-8'-(hydroxymethyl)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)spiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,7-diene]-6'-one
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78442551ChemSpider