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CHEBI:28356 - β-santonin

ChEBI IDCHEBI:28356
ChEBI Nameβ-santonin
Stars
ASCII Namebeta-santonin
Secondary ChEBI IDsCHEBI:10442, CHEBI:22854
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILES[H][C@@]12CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@]1([H])OC(=O)[C@@H]2C
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/t8-,10+,13+,15+/m1/s1
InChIKeyXJHDMGJURBVLLE-OMSPQPPYSA-N
Roles Classification
Application:
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
ChEBI Ontology
Outgoing Relation(s)
β-santonin (CHEBI:28356) is a santonin (CHEBI:26604)
IUPAC Name 
(3R,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
Synonym  Source
beta-SantoninKEGG COMPOUND
Manual XrefsDatabases
C09545KEGG COMPOUND
LMPR0103190004LIPID MAPS
C00003365KNApSAcK
Registry NumbersSources
Beilstein:89490Beilstein
CAS:481-07-2KEGG COMPOUND
CAS:481-07-2ChemIDplus