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CHEBI:209509 - Libertellenone H

ChEBI IDCHEBI:209509
ChEBI NameLibertellenone H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILESC=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(COC(=O)C(C)C)[C@H](OC(C)=O)C[C@H]4C[C@@]34[C@@]2(O)CC1
InChIInChI=1S/C26H34O7/c1-7-23(5)8-9-26(31)17(12-23)19(28)20(29)21-24(6,13-32-22(30)14(2)3)18(33-15(4)27)10-16-11-25(16,21)26/h7,12,14,16,18,29,31H,1,8-11,13H2,2-6H3/t16-,18+,23-,24+,25-,26+/m0/s1
InChIKeyJIDXGOZTLODFJW-FEWBMDKSSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (24169793)
ChEBI Ontology
Outgoing Relation(s)
Libertellenone H (CHEBI:209509) 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 2-methylpropanoate
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78437936ChemSpider