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CHEBI:130868 - [(1S)-7-methoxy-1'-(3-methylphenyl)sulfonyl-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:130868
ChEBI Name[(1S)-7-methoxy-1'-(3-methylphenyl)sulfonyl-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC22H25N3O4S
Net Charge0
Average Mass427.526
Monoisotopic Mass427.15658
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)NCC31CN(S(=O)(=O)c2cccc(C)c2)C1
InChIInChI=1S/C22H25N3O4S/c1-14-4-3-5-16(8-14)30(27,28)25-12-22(13-25)11-23-19(10-26)21-20(22)17-7-6-15(29-2)9-18(17)24-21/h3-9,19,23-24,26H,10-13H2,1-2H3/t19-/m1/s1
InChIKeyVUGNYPCFYXWXRZ-LJQANCHMSA-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)-7-methoxy-1'-(3-methylphenyl)sulfonyl-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:130868) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42417LINCS