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CHEBI:215958 - Libertellenone N

ChEBI IDCHEBI:215958
ChEBI NameLibertellenone N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILESC=C[C@@]1(C)CCC2=C(C(=O)C(O)=C3[C@](C)(CO)CC=C[C@]23C)[C@H]1OC
InChIInChI=1S/C21H28O4/c1-6-19(2)11-8-13-14(18(19)25-5)15(23)16(24)17-20(3,12-22)9-7-10-21(13,17)4/h6-7,10,18,22,24H,1,8-9,11-12H2,2-5H3/t18-,19+,20+,21-/m1/s1
InChIKeyHFYHIWBJKGWKIT-IVAOSVALSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (29168349)
ChEBI Ontology
Outgoing Relation(s)
Libertellenone N (CHEBI:215958) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(1R,4aR,7R,8S)-7-ethenyl-10-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a,7-trimethyl-2,5,6,8-tetrahydrophenanthren-9-one