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CHEBI:225630 - Bipolaricin E

ChEBI IDCHEBI:225630
ChEBI NameBipolaricin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O3
Net Charge0
Average Mass388.592
Monoisotopic Mass388.29775
SMILESCC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H](CC[C@@]4(C)O)C(CO)=CC[C@H]32)O1
InChIInChI=1S/C25H40O3/c1-16(2)12-19-13-17(3)25(28-19)11-10-23(4)14-21-20(8-9-24(21,5)27)18(15-26)6-7-22(23)25/h6,12,17,19-22,26-27H,7-11,13-15H2,1-5H3/t17-,19-,20+,21-,22+,23+,24+,25-/m0/s1
InChIKeyWPXFKHCSNMMBKO-RWFDJDLMSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31573805)
ChEBI Ontology
Outgoing Relation(s)
Bipolaricin E (CHEBI:225630) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'S,4'R,5R,7'S,11'R)-8'-(hydroxymethyl)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)spiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-4'-ol