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CHEBI:197620 - Koninginin J

ChEBI IDCHEBI:197620
ChEBI NameKoninginin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCC(=O)CCCC[C@H](O)[C@@H]1CCC2=C(CC[C@H](O)C2=O)O1
InChIInChI=1S/C16H24O5/c1-10(17)4-2-3-5-12(18)15-8-6-11-14(21-15)9-7-13(19)16(11)20/h12-13,15,18-19H,2-9H2,1H3/t12-,13-,15-/m0/s1
InChIKeyJXHGVDMSZCJROO-YDHLFZDLSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1016/j.phytol.2014.03.004)
ChEBI Ontology
Outgoing Relation(s)
Koninginin J (CHEBI:197620) is a benzopyran (CHEBI:22727)
IUPAC Name 
(2S,6S)-6-hydroxy-2-[(1S)-1-hydroxy-6-oxoheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one
Manual XrefsDatabases
78440682ChemSpider