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CHEBI:219266 - Ophiobolin S

ChEBI IDCHEBI:219266
ChEBI NameOphiobolin S
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O5
Net Charge0
Average Mass432.601
Monoisotopic Mass432.28757
SMILESCOC(C=C[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H](C(=O)C[C@@]3(C)O)/C(C=O)=C\C[C@@H]12)C(C)(C)O
InChIInChI=1S/C26H40O5/c1-16(7-10-22(31-6)24(2,3)29)18-11-12-25(4)13-20-23(21(28)14-26(20,5)30)17(15-27)8-9-19(18)25/h7-8,10,15-16,18-20,22-23,29-30H,9,11-14H2,1-6H3/b10-7?,17-8-/t16-,18+,19-,20-,22?,23-,25+,26+/m0/s1
InChIKeyGIBPHPHOBXYRHB-PZFMCOCGSA-N
Species of MetaboliteComponentSourceComments
[Ulocladiumspecies (ncbitaxon:1914427) - PubMed (23954177)
ChEBI Ontology
Outgoing Relation(s)
Ophiobolin S (CHEBI:219266) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,3S,4R,7R,8E,11S,12R)-4-hydroxy-12-[(2S)-6-hydroxy-5-methoxy-6-methylhept-3-en-2-yl]-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde
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