EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226035 - Walleminol

ChEBI IDCHEBI:226035
ChEBI NameWalleminol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESC=C1C[C@@H](O)/C=C(\C)[C@H](O)C[C@@H]2[C@H]1CC2(C)C
InChIInChI=1S/C15H24O2/c1-9-5-11(16)6-10(2)14(17)7-13-12(9)8-15(13,3)4/h6,11-14,16-17H,1,5,7-8H2,2-4H3/b10-6+/t11-,12+,13-,14-/m1/s1
InChIKeyYYCODSJFNVTWKN-VKPDVZJOSA-N
Species of MetaboliteComponentSourceComments
Wallemia sebi (ncbitaxon:148960) - DOI (10.1016/s0040-4039(98)80039-7)
ChEBI Ontology
Outgoing Relation(s)
Walleminol (CHEBI:226035) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3R,4E,6R,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene-3,6-diol