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CHEBI:225414 - 6-epi-3-anhydroophiobolin B

ChEBI IDCHEBI:225414
ChEBI Name6-epi-3-anhydroophiobolin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O3
Net Charge0
Average Mass384.560
Monoisotopic Mass384.26645
SMILESCC(C)=CCC[C@H](C)[C@@]1(O)CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3/C(C=O)=C\C[C@H]21
InChIInChI=1S/C25H36O3/c1-16(2)7-6-8-18(4)25(28)12-11-24(5)14-20-17(3)13-21(27)23(20)19(15-26)9-10-22(24)25/h7,9,13,15,18,20,22-23,28H,6,8,10-12,14H2,1-5H3/b19-9-/t18-,20+,22+,23-,24+,25-/m0/s1
InChIKeyNELFJHALXVSFHU-LTYVNTHZSA-N
Species of MetaboliteComponentSourceComments
Bipolaris maydis (ncbitaxon:5016) - PubMed (10395513)
ChEBI Ontology
Outgoing Relation(s)
6-epi-3-anhydroophiobolin B (CHEBI:225414) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,3S,7R,8E,11R,12S)-12-hydroxy-1,4-dimethyl-12-[(2S)-6-methylhept-5-en-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradeca-4,8-diene-8-carbaldehyde
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9009228ChemSpider