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CHEBI:207729 - Koninginin K

ChEBI IDCHEBI:207729
ChEBI NameKoninginin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O6
Net Charge0
Average Mass312.362
Monoisotopic Mass312.15729
SMILESO=C(O)CCCCC[C@H](O)[C@@H]1CCC2=C(CC[C@H](O)C2=O)O1
InChIInChI=1S/C16H24O6/c17-11(4-2-1-3-5-15(19)20)14-8-6-10-13(22-14)9-7-12(18)16(10)21/h11-12,14,17-18H,1-9H2,(H,19,20)/t11-,12-,14-/m0/s1
InChIKeySDEMLABHEIGMCS-OBJOEFQTSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1016/j.phytol.2014.03.004)
ChEBI Ontology
Outgoing Relation(s)
Koninginin K (CHEBI:207729) is a benzopyran (CHEBI:22727)
IUPAC Name 
(7S)-7-hydroxy-7-[(2S,6S)-6-hydroxy-5-oxo-2,3,4,6,7,8-hexahydrochromen-2-yl]heptanoic acid
Manual XrefsDatabases
78441079ChemSpider