EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181831 - 3a-hydroxy-3,5a,9-trimethyl-4,5,6,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one

ChEBI IDCHEBI:181831
ChEBI Name3a-hydroxy-3,5a,9-trimethyl-4,5,6,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=C2C3OC(=O)C(C)C3(O)CCC2(C)CCC1
InChIInChI=1S/C15H22O3/c1-9-5-4-6-14(3)7-8-15(17)10(2)13(16)18-12(15)11(9)14/h10,12,17H,4-8H2,1-3H3
InChIKeyJJTIUYSMVWORIT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3a-hydroxy-3,5a,9-trimethyl-4,5,6,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one (CHEBI:181831) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
3a-hydroxy-3,5a,9-trimethyl-4,5,6,7,8,9b-hexahydro-3H-benzo[g][1]benzouran-2-one
Manual XrefsDatabases
29814642ChemSpider