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CHEBI:223985 - Xylarinorditerpene G

Default Structure
ChEBI IDCHEBI:223985
ChEBI NameXylarinorditerpene G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O3
Net Charge0
Average Mass306.446
Monoisotopic Mass306.21949
SMILESC[C@@]12CCO[C@H]1C1=CC[C@H]3[C@](C)(O)[C@H](O)CC[C@]3(C)[C@H]1CC2
InChIInChI=1S/C19H30O3/c1-17-8-6-13-12(16(17)22-11-10-17)4-5-14-18(13,2)9-7-15(20)19(14,3)21/h4,13-16,20-21H,5-11H2,1-3H3/t13-,14+,15+,16-,17+,18+,19-/m0/s1
InChIKeyQVZQBCOULZLZGA-AGMWBROTSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31961677)
ChEBI Ontology
Outgoing Relation(s)
Xylarinorditerpene G (CHEBI:223985) is a 3α-hydroxy steroid (CHEBI:36835)
IUPAC Name 
(3aR,5aR,6S,7R,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-6,7-diol