EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200710 - CJ-13,536

ChEBI IDCHEBI:200710
ChEBI NameCJ-13,536
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29NOS
Net Charge0
Average Mass355.547
Monoisotopic Mass355.19699
SMILESCSCn1c(C/C=C(\C)CCC=C(C)C)c(C)c(=O)c2ccccc21
InChIInChI=1S/C22H29NOS/c1-16(2)9-8-10-17(3)13-14-20-18(4)22(24)19-11-6-7-12-21(19)23(20)15-25-5/h6-7,9,11-13H,8,10,14-15H2,1-5H3/b17-13+
InChIKeyFCBIZSREMFDNPR-GHRIWEEISA-N
Species of MetaboliteComponentSourceComments
Pseudonocardia (ncbitaxon:1847) - PubMed (9544935)
ChEBI Ontology
Outgoing Relation(s)
CJ-13,536 (CHEBI:200710) is a quinolines (CHEBI:26513)
IUPAC Name 
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-1-(methylsulanylmethyl)quinolin-4-one
Manual XrefsDatabases
8017314ChemSpider