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CHEBI:212258 - Coniolactone

ChEBI IDCHEBI:212258
ChEBI NameConiolactone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O5
Net Charge0
Average Mass300.310
Monoisotopic Mass300.09977
SMILESCC(C)=CCOc1cc(O)c2c3c(c(O)cc(C)c13)OC2=O
InChIInChI=1S/C17H16O5/c1-8(2)4-5-21-12-7-10(18)14-15-13(12)9(3)6-11(19)16(15)22-17(14)20/h4,6-7,18-19H,5H2,1-3H3
InChIKeyKPNJVOOFZSPOCT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Neosetophoma cerealis (ncbitaxon:2718965) - PubMed (21103541)
ChEBI Ontology
Outgoing Relation(s)
Coniolactone (CHEBI:212258) is a naphthols (CHEBI:25392)
IUPAC Name 
5,11-dihydroxy-9-methyl-7-(3-methylbut-2-enoxy)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one
Manual XrefsDatabases
27026004ChemSpider