EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181343 - 3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione

ChEBI IDCHEBI:181343
ChEBI Name3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILESCC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O
InChIInChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3
InChIKeyXJHDMGJURBVLLE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione (CHEBI:181343) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzouran-2,8-dione
Manual XrefsDatabases
4972ChemSpider