CHEBI:205479 - Tuberculariol D

ChEBI IDCHEBI:205479
ChEBI NameTuberculariol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESC[C@H]1CC[C@@]2(C)O[C@]1(C)[C@@H](O)[C@H]1[C@H]2CC[C@]1(C)O
InChIInChI=1S/C15H26O3/c1-9-5-8-14(3)10-6-7-13(2,17)11(10)12(16)15(9,4)18-14/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12-,13-,14+,15-/m0/s1
InChIKeyPIYWHRNORFKMHX-JTGSROGXSA-N
Species of MetaboliteComponentSourceComments
Tuberculariaspecies TF5 (ncbitaxon:252395) - DOI (10.1002/hlca.201300101)
ChEBI Ontology
Outgoing Relation(s)
Tuberculariol D (CHEBI:205479) is a oxanes (CHEBI:46942)
IUPAC Name 
(1R,2R,5S,6R,7S,8S,9S)-1,5,8,9-tetramethyl-12-oxatricyclo[6.3.1.02,6]dodecane-5,7-diol
Manual XrefsDatabases
78441053ChemSpider