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CHEBI:198673 - Lepistol

ChEBI IDCHEBI:198673
ChEBI NameLepistol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC=C(CO)[C@@]12C=C3C(=O)C[C@H](C(C)C)[C@@]3(C)CC[C@]1(C)CC(=O)O2
InChIInChI=1S/C20H28O4/c1-12(2)14-8-16(22)15-9-20(13(3)11-21)18(4,10-17(23)24-20)6-7-19(14,15)5/h9,12,14,21H,3,6-8,10-11H2,1-2,4-5H3/t14-,18-,19-,20+/m1/s1
InChIKeyGEJWTRKISNYIIC-DMSXTEQDSA-N
Species of MetaboliteComponentSourceComments
Lepista sordida (ncbitaxon:123925) - DOI (10.1016/0031-9422(96)00327-5)
ChEBI Ontology
Outgoing Relation(s)
Lepistol (CHEBI:198673) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(3aR,5aR,6R,9aR)-9a-(3-hydroxyprop-1-en-2-yl)-3a,5a-dimethyl-6-propan-2-yl-4,5,6,7-tetrahydro-3H-azuleno[7,6-b]uran-2,8-dione
Manual XrefsDatabases
8557554ChemSpider