EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223990 - Xylarinorditerpene H

ChEBI IDCHEBI:223990
ChEBI NameXylarinorditerpene H
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-IPUCMDTISA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31961677)
ChEBI Ontology
Outgoing Relation(s)
Xylarinorditerpene H (CHEBI:223990) is a 3β-hydroxy steroid (CHEBI:36836)
IUPAC Name 
(3aR,5aR,6S,7S,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