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CHEBI:224194 - Libertellenone D

ChEBI IDCHEBI:224194
ChEBI NameLibertellenone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESC=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(COC(C)=O)[C@H](O)C[C@H]4C[C@@]34[C@@]2(O)CC1
InChIInChI=1S/C22H28O6/c1-5-19(3)6-7-22(27)14(10-19)16(25)17(26)18-20(4,11-28-12(2)23)15(24)8-13-9-21(13,18)22/h5,10,13,15,24,26-27H,1,6-9,11H2,2-4H3/t13-,15+,19-,20+,21-,22+/m0/s1
InChIKeyFRVFBQZRKOWIAO-NIDNZAGZSA-N
Species of MetaboliteComponentSourceComments
Libertellaspecies (ncbitaxon:2040850) - PubMed (15993608)
ChEBI Ontology
Outgoing Relation(s)
Libertellenone D (CHEBI:224194) 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 acetate
Manual XrefsDatabases
10480845ChemSpider