EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126206 - [(1S)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:126206
ChEBI Name[(1S)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
Stars
DownloadsMolfile
FormulaC20H29N3O4S
Net Charge0
Average Mass407.536
Monoisotopic Mass407.18788
SMILESCCS(=O)(=O)N1CCC2(CC1)CN[C@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C20H29N3O4S/c1-4-28(25,26)23-9-7-20(8-10-23)13-21-16(12-24)19-18(20)15-6-5-14(27-3)11-17(15)22(19)2/h5-6,11,16,21,24H,4,7-10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyNFZYNUJZKBEEKB-MRXNPFEDSA-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)
[(1S)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:126206) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37773LINCS