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CHEBI:223948 - Xylarinorditerpene R

ChEBI IDCHEBI:223948
ChEBI NameXylarinorditerpene R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O2
Net Charge0
Average Mass276.420
Monoisotopic Mass276.20893
SMILESC[C@@]12CCO[C@H]1C1=CC[C@H]3[C@H](O)CCC[C@]3(C)[C@H]1CC2
InChIInChI=1S/C18H28O2/c1-17-9-7-13-12(16(17)20-11-10-17)5-6-14-15(19)4-3-8-18(13,14)2/h5,13-16,19H,3-4,6-11H2,1-2H3/t13-,14-,15+,16-,17+,18+/m0/s1
InChIKeyCJCKUBTVXXKENB-KHHDSSOXSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31961677)
ChEBI Ontology
Outgoing Relation(s)
Xylarinorditerpene R (CHEBI:223948) is a hydroxy steroid (CHEBI:35350)
IUPAC Name 
(3aR,5aR,6R,9aR,9bR,11aR)-9a,11a-dimethyl-1,2,3a,5,5a,6,7,8,9,9b,10,11-dodecahydronaphtho[1,2-g][1]benzouran-6-ol