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CHEBI:217489 - Libertellenone L

ChEBI IDCHEBI:217489
ChEBI NameLibertellenone L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESC=C[C@@]1(C)CCC2=C(C(=O)O[C@@H]3CC[C@@]4(C)COC(=O)[C@@H]4[C@@]23C)[C@H]1O
InChIInChI=1S/C20H26O5/c1-5-18(2)8-6-11-13(15(18)21)16(22)25-12-7-9-19(3)10-24-17(23)14(19)20(11,12)4/h5,12,14-15,21H,1,6-10H2,2-4H3/t12-,14+,15-,18+,19+,20+/m1/s1
InChIKeyJIFZPERIJOXNRO-TYVOUBDXSA-N
Species of MetaboliteComponentSourceComments
Apiospora montagnei (ncbitaxon:255776) - DOI (10.1016/j.tetlet.2017.03.052)
ChEBI Ontology
Outgoing Relation(s)
Libertellenone L (CHEBI:217489) is a pyranone (CHEBI:37963)
IUPAC Name 
(3aR,5aR,8S,9R,11bS,11cS)-9-ethenyl-8-hydroxy-3a,9,11b-trimethyl-3,4,5,5a,8,10,11,11c-octahydro-[2]benzouro[6,7-c]isochromene-1,7-dione
Manual XrefsDatabases
78439381ChemSpider