EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214822 - Koninginin T

ChEBI IDCHEBI:214822
ChEBI NameKoninginin T
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O6
Net Charge0
Average Mass328.405
Monoisotopic Mass328.18859
SMILESCC=C(C)C(=O)O[C@H]1CCC[C@@H]2[C@@H](O)[C@H](O)[C@@H](CCC)O[C@]12O
InChIInChI=1S/C17H28O6/c1-4-7-12-15(19)14(18)11-8-6-9-13(17(11,21)23-12)22-16(20)10(3)5-2/h5,11-15,18-19,21H,4,6-9H2,1-3H3/t11-,12-,13+,14-,15-,17+/m1/s1
InChIKeyUUXXSFORGROBMR-QWCKYMPWSA-N
Species of MetaboliteComponentSourceComments
Phomopsis stipata (ncbitaxon:520419) - DOI (10.1016/j.phytol.2020.01.019)
ChEBI Ontology
Outgoing Relation(s)
Koninginin T (CHEBI:214822) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
[(2R,3S,4R,4aR,8S,8aS)-3,4,8a-trihydroxy-2-propyl-2,3,4,4a,5,6,7,8-octahydrochromen-8-yl] 2-methylbut-2-enoate