EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199236 - CK13b

ChEBI IDCHEBI:199236
ChEBI NameCK13b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H22O3
Net Charge0
Average Mass202.294
Monoisotopic Mass202.15689
SMILESCC[C@@H]1OC(O)(CC)[C@H](C)[C@@H](O)[C@@H]1C
InChIInChI=1S/C11H22O3/c1-5-9-7(3)10(12)8(4)11(13,6-2)14-9/h7-10,12-13H,5-6H2,1-4H3/t7-,8-,9+,10+,11?/m1/s1
InChIKeyQDJKQVLUTJJLAC-XSIKWTSOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/ja9617552)
ChEBI Ontology
Outgoing Relation(s)
CK13b (CHEBI:199236) is a oxanes (CHEBI:46942)
IUPAC Name 
(3R,4S,5S,6S)-2,6-diethyl-3,5-dimethyloxane-2,4-diol
Manual XrefsDatabases
78436479ChemSpider