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CHEBI:130969 - (1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:130969
ChEBI Name(1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC29H30FN5O3
Net Charge0
Average Mass515.589
Monoisotopic Mass515.23327
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C29H30FN5O3/c1-33-24-13-22(38-2)6-7-23(24)26-27(33)25(15-36)34(14-19-8-10-31-11-9-19)16-29(26)17-35(18-29)28(37)32-21-5-3-4-20(30)12-21/h3-13,25,36H,14-18H2,1-2H3,(H,32,37)/t25-/m0/s1
InChIKeyAQENCQUVZVEJNW-VWLOTQADSA-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)
(1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:130969) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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