EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212323 - Bipolarin E

ChEBI IDCHEBI:212323
ChEBI NameBipolarin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O4
Net Charge0
Average Mass400.559
Monoisotopic Mass400.26136
SMILESC/C(=C\[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)CC4=C(C(=O)C[C@H]4C)/C(CO)=C\C[C@H]32)O1)CO
InChIInChI=1S/C25H36O4/c1-15(13-26)9-19-11-17(3)25(29-19)8-7-24(4)12-20-16(2)10-21(28)23(20)18(14-27)5-6-22(24)25/h5,9,16-17,19,22,26-27H,6-8,10-14H2,1-4H3/b15-9+,18-5-/t16-,17+,19+,22-,24-,25+/m1/s1
InChIKeyWXYLJWPCXKPYHP-FVCZJGEXSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - DOI (10.1016/S1875-5364(19)30116-5)
ChEBI Ontology
Outgoing Relation(s)
Bipolarin E (CHEBI:212323) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,4'R,5R,8'E,11'R)-8'-(hydroxymethyl)-5-[(E)-3-hydroxy-2-methylprop-1-enyl]-1',3,4'-trimethylspiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-3(7),8-diene]-6'-one