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CHEBI:128456 - 1-[(1R)-1'-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(dimethylamino)ethanone

ChEBI IDCHEBI:128456
ChEBI Name1-[(1R)-1'-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(dimethylamino)ethanone
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FormulaC23H32N4O3
Net Charge0
Average Mass412.534
Monoisotopic Mass412.24744
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CN(CC2CC2)C1
InChIInChI=1S/C23H32N4O3/c1-25(2)10-20(29)27-14-23(12-26(13-23)9-15-4-5-15)21-17-7-6-16(30-3)8-18(17)24-22(21)19(27)11-28/h6-8,15,19,24,28H,4-5,9-14H2,1-3H3/t19-/m0/s1
InChIKeyOKMCXWQATARRSS-IBGZPJMESA-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-[(1R)-1'-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(dimethylamino)ethanone (CHEBI:128456) is a harmala alkaloid (CHEBI:61379)
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