EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224118 - 9a-Hydroxy-3,8a-dimethyl-5-methylene4,4a,5,6,9,9a-hexahydronaphtho[2,3-b]furan-2(8aH)-one

ChEBI IDCHEBI:224118
ChEBI Name9a-Hydroxy-3,8a-dimethyl-5-methylene4,4a,5,6,9,9a-hexahydronaphtho[2,3-b]furan-2(8aH)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILESC=C1CC=CC2(C)CC3(O)OC(=O)C(C)=C3CC12
InChIInChI=1S/C15H18O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h4,6,11,17H,1,5,7-8H2,2-3H3
InChIKeyVMGUBSLDEXOUMH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lactarius (ncbitaxon:34444) - PubMed (21522471)
ChEBI Ontology
Outgoing Relation(s)
9a-Hydroxy-3,8a-dimethyl-5-methylene4,4a,5,6,9,9a-hexahydronaphtho[2,3-b]furan-2(8aH)-one (CHEBI:224118) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,9-tetrahydrobenzo[][1]benzouran-2-one
Manual XrefsDatabases
78444672ChemSpider