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CHEBI:127661 - [(1S)-1-(hydroxymethyl)-7-methoxy-1'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone

Default Structure
ChEBI IDCHEBI:127661
ChEBI Name[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone
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DownloadsMolfile
FormulaC27H34N4O4S
Net Charge0
Average Mass510.660
Monoisotopic Mass510.23008
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CCN(Cc2nccs2)CC1
InChIInChI=1S/C27H34N4O4S/c1-34-19-2-3-20-21(14-19)29-25-22(16-32)31(26(33)18-4-11-35-12-5-18)17-27(24(20)25)6-9-30(10-7-27)15-23-28-8-13-36-23/h2-3,8,13-14,18,22,29,32H,4-7,9-12,15-17H2,1H3/t22-/m1/s1
InChIKeyIAWRNXOODRNTQS-JOCHJYFZSA-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-(hydroxymethyl)-7-methoxy-1'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone (CHEBI:127661) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39218LINCS