EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226013 - Lepistal

Default Structure
ChEBI IDCHEBI:226013
ChEBI NameLepistal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESC=C(C=O)[C@@]12C=C3C(=O)C[C@H](C(C)C)[C@@]3(C)CC[C@]1(C)CC(=O)O2
InChIInChI=1S/C20H26O4/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/h9,11-12,14H,3,6-8,10H2,1-2,4-5H3/t14-,18-,19-,20+/m1/s1
InChIKeyXDEMETQGFBYWPP-DMSXTEQDSA-N
Species of MetaboliteComponentSourceComments
Lepista sordida (ncbitaxon:123925) - DOI (10.1016/0031-9422(96)00327-5)
ChEBI Ontology
Outgoing Relation(s)
Lepistal (CHEBI:226013) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
2-[(3aR,5aR,6R,9aR)-3a,5a-dimethyl-2,8-dioxo-6-propan-2-yl-4,5,6,7-tetrahydro-3H-azuleno[5,6-b]uran-9a-yl]prop-2-enal
Manual XrefsDatabases
8195116ChemSpider