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CHEBI:209876 - Libertellenone P

ChEBI IDCHEBI:209876
ChEBI NameLibertellenone P
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESC=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(COC(=O)CC)[C@H](OC(C)=O)C[C@H]4C[C@@]34[C@@]2(O)CC1
InChIInChI=1S/C25H32O7/c1-6-18(27)31-13-23(5)17(32-14(3)26)10-15-11-24(15)21(23)20(29)19(28)16-12-22(4,7-2)8-9-25(16,24)30/h7,12,15,17,29-30H,2,6,8-11,13H2,1,3-5H3/t15-,17+,22-,23+,24-,25+/m0/s1
InChIKeyXQLOOBQPQYOLAI-CGCPNZNOSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (29949353)
ChEBI Ontology
Outgoing Relation(s)
Libertellenone P (CHEBI:209876) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1S,2S,5R,11R,12R,14R)-12-acetyloxy-5-ethenyl-2,9-dihydroxy-5,11-dimethyl-8-oxo-11-tetracyclo[8.5.0.01,14.02,7]pentadeca-6,9-dienyl]methyl propanoate
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78441689ChemSpider