EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:9538 - Thiarubrine A

ChEBI IDCHEBI:9538
ChEBI NameThiarubrine A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H8S2
Net Charge0
Average Mass228.341
Monoisotopic Mass228.00674
SMILESC=CC#CC#CC1=CC=C(C#CC)SS1
InChIInChI=1S/C13H8S2/c1-3-5-6-7-9-13-11-10-12(8-4-2)14-15-13/h3,10-11H,1H2,2H3
InChIKeyXZHCLKKXXPKULI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Thiarubrine A (CHEBI:9538) is a organosulfur heterocyclic compound (CHEBI:38106)
Synonym  Source
Thiarubrine AKEGG COMPOUND
Manual XrefsDatabases
C08461KEGG COMPOUND
C00001295KNApSAcK
Registry NumbersSources
CAS:63543-09-9KEGG COMPOUND