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CHEBI:131093 - [(1S)-7-methoxy-1'-(3-pyridinylmethyl)-2-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:131093
ChEBI Name[(1S)-7-methoxy-1'-(3-pyridinylmethyl)-2-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC27H31N5O2S
Net Charge0
Average Mass489.645
Monoisotopic Mass489.21985
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(Cc2cccnc2)CC1
InChIInChI=1S/C27H31N5O2S/c1-34-20-4-5-21-22(13-20)30-26-23(17-33)32(16-24-29-9-12-35-24)18-27(25(21)26)6-10-31(11-7-27)15-19-3-2-8-28-14-19/h2-5,8-9,12-14,23,30,33H,6-7,10-11,15-18H2,1H3/t23-/m1/s1
InChIKeyDHJIUPKAKMQMKH-HSZRJFAPSA-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-pyridinylmethyl)-2-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:131093) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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