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CHEBI:224689 - Walleminone

ChEBI IDCHEBI:224689
ChEBI NameWalleminone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC=C1C[C@@H](O)[C@@H](O)[C@H](C)C(=O)C[C@@H]2[C@H]1CC2(C)C
InChIInChI=1S/C15H24O3/c1-8-5-13(17)14(18)9(2)12(16)6-11-10(8)7-15(11,3)4/h9-11,13-14,17-18H,1,5-7H2,2-4H3/t9-,10+,11-,13-,14+/m1/s1
InChIKeyNGQXJSTYWWTPOG-VGYDOTAVSA-N
Species of MetaboliteComponentSourceComments
Wallemia sebi (ncbitaxon:148960) - DOI (10.1016/s0040-4039(98)80039-7)
ChEBI Ontology
Outgoing Relation(s)
Walleminone (CHEBI:224689) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4S,5S,6R,9R)-5,6-dihydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-3-one
Manual XrefsDatabases
71044098ChemSpider