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CHEBI:129007 - 1-[(1S)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:129007
ChEBI Name1-[(1S)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC25H29N3O5S
Net Charge0
Average Mass483.590
Monoisotopic Mass483.18279
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(C)=O)CC31CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H29N3O5S/c1-17(30)28-16-25(10-12-27(13-11-25)34(31,32)19-6-4-3-5-7-19)23-20-9-8-18(33-2)14-21(20)26-24(23)22(28)15-29/h3-9,14,22,26,29H,10-13,15-16H2,1-2H3/t22-/m1/s1
InChIKeyRUACUVRYDBSGID-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)
1-[(1S)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:129007) is a harmala alkaloid (CHEBI:61379)
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