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CHEBI:209881 - Libertellenone Q

ChEBI IDCHEBI:209881
ChEBI NameLibertellenone Q
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O6
Net Charge0
Average Mass416.514
Monoisotopic Mass416.21989
SMILESC=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(COC(=O)C(C)C)[C@H](O)C[C@H]4C[C@@]34[C@@]2(O)CC1
InChIInChI=1S/C24H32O6/c1-6-21(4)7-8-24(29)15(11-21)17(26)18(27)19-22(5,12-30-20(28)13(2)3)16(25)9-14-10-23(14,19)24/h6,11,13-14,16,25,27,29H,1,7-10,12H2,2-5H3/t14-,16+,21-,22+,23-,24+/m0/s1
InChIKeyIQWZUGZXSQAQHD-NNNKGDBVSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (29949353)
ChEBI Ontology
Outgoing Relation(s)
Libertellenone Q (CHEBI:209881) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1S,2S,5R,11R,12R,14R)-5-ethenyl-2,9,12-trihydroxy-5,11-dimethyl-8-oxo-11-tetracyclo[8.5.0.01,14.02,7]pentadeca-6,9-dienyl]methyl 2-methylpropanoate
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78441690ChemSpider