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CHEBI:181043 - Fraxinellone

ChEBI IDCHEBI:181043
ChEBI NameFraxinellone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O3
Net Charge0
Average Mass232.279
Monoisotopic Mass232.10994
SMILESCC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1
InChIInChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1
InChIKeyXYYAFLHHHZVPRN-GXTWGEPZSA-N
Species of MetaboliteComponentSourceComments
Cucumis melo (ncbitaxon:3656) seed (BTO:0001226) MetaboLights (MTBLS2993)
ChEBI Ontology
Outgoing Relation(s)
Fraxinellone (CHEBI:181043) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(3R,3aR)-3-(uran-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzouran-1-one
Manual XrefsDatabases
110550ChemSpider
Registry NumbersSources
CAS:28808-62-0ChemIDplus