CHEBI:173151 - Tanacetin

ChEBI IDCHEBI:173151
ChEBI NameTanacetin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])CC[C@@]1(C)[C@H](O)CCC(=C)[C@]21O
InChIInChI=1S/C15H20O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h10-12,16,18H,1-2,4-7H2,3H3/t10-,11+,12-,14-,15-/m0/s1
InChIKeyCFUWPZZLCJXNSQ-XXUMUBMXSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Tanacetin (CHEBI:173151) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzouran-2-one
Manual XrefsDatabases
16736051ChemSpider
Registry NumbersSources
CAS:1401-54-3ChemIDplus