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CHEBI:126911 - (1S)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:126911
ChEBI Name(1S)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC22H22F2N4O3
Net Charge0
Average Mass428.439
Monoisotopic Mass428.16600
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)NCC31CN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C22H22F2N4O3/c1-31-13-3-4-14-17(7-13)26-20-18(8-29)25-9-22(19(14)20)10-28(11-22)21(30)27-16-5-2-12(23)6-15(16)24/h2-7,18,25-26,29H,8-11H2,1H3,(H,27,30)/t18-/m1/s1
InChIKeyCDZHALMAZFHOTE-GOSISDBHSA-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)
(1S)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:126911) is a harmala alkaloid (CHEBI:61379)
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