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CHEBI:202942 - Ophiobolin E

ChEBI IDCHEBI:202942
ChEBI NameOphiobolin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O3
Net Charge0
Average Mass382.544
Monoisotopic Mass382.25079
SMILESCC(C)=CC1C[C@H](C)C2=C3C/C=C(/C=O)[C@H]4CC[C@@](C)(O)[C@H]4C[C@@]3(C)C=C2O1
InChIInChI=1S/C25H34O3/c1-15(2)10-18-11-16(3)23-20-7-6-17(14-26)19-8-9-25(5,27)21(19)12-24(20,4)13-22(23)28-18/h6,10,13-14,16,18-19,21,27H,7-9,11-12H2,1-5H3/b17-6-/t16-,18?,19+,21-,24-,25+/m0/s1
InChIKeyNQDBNLQDCPWIPD-RPPKRXJDSA-N
Species of MetaboliteComponentSourceComments
Bipolaris gigantea (ncbitaxon:2695822) - PubMed (16962149)
ChEBI Ontology
Outgoing Relation(s)
Ophiobolin E (CHEBI:202942) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3S,4R,7S,8E,13S)-4-hydroxy-1,4,13-trimethyl-15-(2-methylprop-1-enyl)-16-oxatetracyclo[9.7.0.03,7.012,17]octadeca-8,11,17-triene-8-carbaldehyde
Manual XrefsDatabases
28283727ChemSpider