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CHEBI:126199 - (1R)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:126199
ChEBI Name(1R)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC23H34N4O5S
Net Charge0
Average Mass478.615
Monoisotopic Mass478.22499
SMILESCCCNC(=O)N1CC2(CCN(S(=O)(=O)CC)CC2)c2c(nc3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C23H34N4O5S/c1-4-10-24-22(29)27-15-23(8-11-26(12-9-23)33(30,31)5-2)20-17-7-6-16(32-3)13-18(17)25-21(20)19(27)14-28/h6-7,13,19,25,28H,4-5,8-12,14-15H2,1-3H3,(H,24,29)/t19-/m0/s1
InChIKeyRSITXVLTPUXVES-IBGZPJMESA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(1R)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:126199) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37766LINCS