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CHEBI:181329 - 3-Furan-3-yl-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one

ChEBI IDCHEBI:181329
ChEBI Name3-Furan-3-yl-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O3
Net Charge0
Average Mass232.279
Monoisotopic Mass232.10994
SMILESCC1=C2C(=O)OC(c3ccoc3)C2(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
InChIKeyXYYAFLHHHZVPRN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Furan-3-yl-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one (CHEBI:181329) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
3-(uran-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzouran-1-one
Manual XrefsDatabases
437495ChemSpider