EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174479 - Alkhanin

ChEBI IDCHEBI:174479
ChEBI NameAlkhanin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESCC1=C2C3OC(=O)C(C)C3CCC2(C)C(O)CC1=O
InChIInChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9,11,13,17H,4-6H2,1-3H3
InChIKeyRARZBOWMYCHUMB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Alkhanin (CHEBI:174479) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g][1]benzouran-2,8-dione
Manual XrefsDatabases
HMDB0036202HMDB
35014109ChemSpider