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CHEBI:223961 - Xylarinorditerpene B

ChEBI IDCHEBI:223961
ChEBI NameXylarinorditerpene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O3
Net Charge0
Average Mass306.446
Monoisotopic Mass306.21949
SMILESC[C@@]12CCO[C@H]1C1=CC[C@H]3[C@@](O)(CO)CCC[C@]3(C)[C@H]1CC2
InChIInChI=1S/C19H30O3/c1-17-9-6-14-13(16(17)22-11-10-17)4-5-15-18(14,2)7-3-8-19(15,21)12-20/h4,14-16,20-21H,3,5-12H2,1-2H3/t14-,15+,16-,17+,18+,19-/m0/s1
InChIKeyOQPSEMDHLSQEBP-FYFSBDKLSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31961677)
ChEBI Ontology
Outgoing Relation(s)
Xylarinorditerpene B (CHEBI:223961) is a hydroxy steroid (CHEBI:35350)
IUPAC Name 
(3aR,5aR,6R,9aR,9bR,11aR)-6-(hydroxymethyl)-9a,11a-dimethyl-2,3a,5,5a,7,8,9,9b,10,11-decahydro-1H-naphtho[1,2-g][1]benzouran-6-ol