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CHEBI:209893 - Libertellenone S

ChEBI IDCHEBI:209893
ChEBI NameLibertellenone S
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O7
Net Charge0
Average Mass460.567
Monoisotopic Mass460.24610
SMILESC=C[C@]1(C)CCC2=C([C@@H](O)C(=O)[C@H]3[C@](C)(COC(=O)C(C)C)[C@H](OC(C)=O)C[C@H]4C[C@]243)[C@@H]1O
InChIInChI=1S/C26H36O7/c1-7-24(5)9-8-16-18(22(24)30)19(28)20(29)21-25(6,12-32-23(31)13(2)3)17(33-14(4)27)10-15-11-26(15,16)21/h7,13,15,17,19,21-22,28,30H,1,8-12H2,2-6H3/t15-,17+,19+,21-,22-,24+,25+,26+/m0/s1
InChIKeyWUGBPACJIDFLLB-BWQASORYSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (29949353)
ChEBI Ontology
Outgoing Relation(s)
Libertellenone S (CHEBI:209893) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1S,5S,6R,8R,10R,11R,12R,14R)-12-acetyloxy-5-ethenyl-6,8-dihydroxy-5,11-dimethyl-9-oxo-11-tetracyclo[8.5.0.01,14.02,7]pentadec-2(7)-enyl]methyl 2-methylpropanoate
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78441692ChemSpider