EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182802 - (6Ar,9S,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid

ChEBI IDCHEBI:182802
ChEBI Name(6Ar,9S,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26N2S.CH4O3S
Net Charge0
Average Mass410.605
Monoisotopic Mass410.16978
SMILESCS(=O)(=O)O.[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C[C@H](CSC)CN2CCC
InChIInChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16+,18+;/m0./s1
InChIKeyUWCVGPLTGZWHGS-UWQWILQWSA-N
ChEBI Ontology
Outgoing Relation(s)
(6Ar,9S,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid (CHEBI:182802) is a organic heterotetracyclic compound (CHEBI:38163)
(6Ar,9S,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid (CHEBI:182802) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(6aR,9S,10aR)-9-(methylsulanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-g]quinoline;methanesulonic acid
Manual XrefsDatabases
29315007ChemSpider