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CHEBI:197859 - 6-epi-Ophiobolin A

ChEBI IDCHEBI:197859
ChEBI Name6-epi-Ophiobolin A
Stars
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]4[C@@H](C(=O)C[C@@]4(C)O)/C(C=O)=C\C[C@H]32)O1
InChIInChI=1S/C25H36O4/c1-15(2)10-18-11-16(3)25(29-18)9-8-23(4)12-19-22(20(27)13-24(19,5)28)17(14-26)6-7-21(23)25/h6,10,14,16,18-19,21-22,28H,7-9,11-13H2,1-5H3/b17-6-/t16-,18-,19-,21+,22-,23+,24+,25-/m0/s1
InChIKeyMWYYLZRWWNBROW-RXAKKKFQSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287) - DOI (10.1021/np50115a009)
ChEBI Ontology
Outgoing Relation(s)
6-epi-Ophiobolin A (CHEBI:197859) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'S,4'R,5R,7'R,8'E,11'R)-4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carbaldehyde
Manual XrefsDatabases
31118877ChemSpider