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CHEBI:223976 - Xylarinorditerpene E

ChEBI IDCHEBI:223976
ChEBI NameXylarinorditerpene E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O3
Net Charge0
Average Mass306.446
Monoisotopic Mass306.21949
SMILESC[C@@]12CCO[C@H]1C1=C[C@@H](O)[C@@H]3[C@](C)(CCC[C@]3(C)O)[C@H]1CC2
InChIInChI=1S/C19H30O3/c1-17-8-5-13-12(16(17)22-10-9-17)11-14(20)15-18(13,2)6-4-7-19(15,3)21/h11,13-16,20-21H,4-10H2,1-3H3/t13-,14+,15+,16-,17+,18+,19-/m0/s1
InChIKeyYZLWTTACHKQVGG-AGMWBROTSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31961677)
ChEBI Ontology
Outgoing Relation(s)
Xylarinorditerpene E (CHEBI:223976) is a 6-hydroxy steroid (CHEBI:36849)
IUPAC Name 
(3aR,5R,5aS,6S,9aR,9bR,11aR)-6,9a,11a-trimethyl-2,3a,5,5a,7,8,9,9b,10,11-decahydro-1H-naphtho[1,2-g][1]benzouran-5,6-diol