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CHEBI:215972 - Libertellenone G

ChEBI IDCHEBI:215972
ChEBI NameLibertellenone G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESC=C[C@@]1(C)CCC2=C(C1)C(=O)C(O)=C1[C@](C)(CO)CC=C[C@]21C
InChIInChI=1S/C20H26O3/c1-5-18(2)10-7-14-13(11-18)15(22)16(23)17-19(3,12-21)8-6-9-20(14,17)4/h5-6,9,21,23H,1,7-8,10-12H2,2-4H3/t18-,19-,20+/m0/s1
InChIKeyGSIFPNBGQDHODX-SLFFLAALSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (24169793)
ChEBI Ontology
Outgoing Relation(s)
Libertellenone G (CHEBI:215972) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,4aR,7S)-7-ethenyl-10-hydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-2,5,6,8-tetrahydrophenanthren-9-one
Manual XrefsDatabases
78437552ChemSpider