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CHEBI:225614 - Bipolaricin B

ChEBI IDCHEBI:225614
ChEBI NameBipolaricin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O5
Net Charge0
Average Mass416.558
Monoisotopic Mass416.25627
SMILESCC(=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)CO
InChIInChI=1S/C25H36O5/c1-14(12-26)7-17-9-16(3)25(30-17)6-5-24(4)11-18-15(2)8-21(29)23(18)19(13-27)20(28)10-22(24)25/h7-8,16-18,20,22,26-28H,5-6,9-13H2,1-4H3/t16-,17-,18+,20-,22+,24+,25-/m0/s1
InChIKeyYFKBWWAKVYPIJD-JLUIZEHKSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31573805)
ChEBI Ontology
Outgoing Relation(s)
Bipolaricin B (CHEBI:225614) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'R,5R,9'S,11'R)-9'-hydroxy-8'-(hydroxymethyl)-5-(3-hydroxy-2-methylprop-1-enyl)-1',3,4'-trimethylspiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,7-diene]-6'-one