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CHEBI:125754 - 1-[(1S)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone

ChEBI IDCHEBI:125754
ChEBI Name1-[(1S)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone
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DownloadsMolfile
FormulaC29H42N4O4
Net Charge0
Average Mass510.679
Monoisotopic Mass510.32061
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)CN1CCOCC1)CC31CCN(CC2CCCC2)CC1
InChIInChI=1S/C29H42N4O4/c1-36-22-6-7-23-24(16-22)30-28-25(19-34)33(26(35)18-32-12-14-37-15-13-32)20-29(27(23)28)8-10-31(11-9-29)17-21-4-2-3-5-21/h6-7,16,21,25,30,34H,2-5,8-15,17-20H2,1H3/t25-/m1/s1
InChIKeyNEXKXEQOOLRNQD-RUZDIDTESA-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'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone (CHEBI:125754) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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