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CHEBI:219613 - Koninginin I

ChEBI IDCHEBI:219613
ChEBI NameKoninginin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCC1CCCC[C@H](O)[C@@H]2C[C@@H](O1)C1=C(O2)[C@H](O)CCC1=O
InChIInChI=1S/C16H24O5/c1-9-4-2-3-5-10(17)13-8-14(20-9)15-11(18)6-7-12(19)16(15)21-13/h9-10,12-14,17,19H,2-8H2,1H3/t9?,10-,12+,13-,14+/m0/s1
InChIKeyPIEPQYGMNJGUKR-NCDGTBIOSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1016/j.phytol.2014.03.004)
ChEBI Ontology
Outgoing Relation(s)
Koninginin I (CHEBI:219613) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one
Manual XrefsDatabases
78441174ChemSpider