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CHEBI:209870 - Libertellenone O

ChEBI IDCHEBI:209870
ChEBI NameLibertellenone O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O7
Net Charge0
Average Mass430.497
Monoisotopic Mass430.19915
SMILESC=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(COC(C)=O)[C@H](OC(C)=O)C[C@H]4C[C@@]34[C@@]2(O)CC1
InChIInChI=1S/C24H30O7/c1-6-21(4)7-8-24(29)16(11-21)18(27)19(28)20-22(5,12-30-13(2)25)17(31-14(3)26)9-15-10-23(15,20)24/h6,11,15,17,28-29H,1,7-10,12H2,2-5H3/t15-,17+,21-,22+,23-,24+/m0/s1
InChIKeyAIFYKUFNNUBOSA-ZTQYASMCSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (29949353)
ChEBI Ontology
Outgoing Relation(s)
Libertellenone O (CHEBI:209870) 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 acetate
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78441688ChemSpider