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CHEBI:126900 - 2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(5-pyrimidinylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:126900
ChEBI Name2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(5-pyrimidinylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
Stars
DownloadsMolfile
FormulaC26H34N6O3
Net Charge0
Average Mass478.597
Monoisotopic Mass478.26924
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CCN(Cc2cncnc2)CC1
InChIInChI=1S/C26H34N6O3/c1-30(2)14-23(34)32-16-26(6-8-31(9-7-26)13-18-11-27-17-28-12-18)24-20-5-4-19(35-3)10-21(20)29-25(24)22(32)15-33/h4-5,10-12,17,22,29,33H,6-9,13-16H2,1-3H3/t22-/m1/s1
InChIKeyRSQDMSKKYVUBIP-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)
2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(5-pyrimidinylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:126900) is a harmala alkaloid (CHEBI:61379)
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