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

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ChEBI Name (6Ar,9S,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
ChEBI ID CHEBI:182802
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H26N2S.CH4O3S
Net Charge 0
Average Mass 410.590
Monoisotopic Mass 410.16979
InChI InChI=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
InChIKey UWCVGPLTGZWHGS-UWQWILQWSA-N
SMILES S(C[C@H]1C[C@]2([C@](N(C1)CCC)(CC=3C4=C2C=CC=C4NC3)[H])[H])C.S(O)(=O)(=O)C
ChEBI Ontology
Outgoing (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 Xref Database
29315007 ChemSpider
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