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CHEBI:229070 - Bethogenin

Default Structure
ChEBI IDCHEBI:229070
ChEBI NameBethogenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O4
Net Charge0
Average Mass444.656
Monoisotopic Mass444.32396
SMILESCOC12CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C(C)C1(CCC(C)CO1)O2
InChIInChI=1S/C28H44O4/c1-17-8-13-27(31-16-17)18(2)24-26(4)12-10-22-21(23(26)15-28(24,30-5)32-27)7-6-19-14-20(29)9-11-25(19,22)3/h6,17-18,20-24,29H,7-16H2,1-5H3
InChIKeyLQIGIHFYLJKHAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Bethogenin (CHEBI:229070) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4-methoxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
Manual XrefsDatabases
510701ChemSpider