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CHEBI:128982 - (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[4-oxanyl(oxo)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:128982
ChEBI Name(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[4-oxanyl(oxo)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC29H33FN4O5
Net Charge0
Average Mass536.604
Monoisotopic Mass536.24350
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C29H33FN4O5/c1-32-23-13-21(38-2)6-7-22(23)25-26(32)24(14-35)34(27(36)18-8-10-39-11-9-18)17-29(25)15-33(16-29)28(37)31-20-5-3-4-19(30)12-20/h3-7,12-13,18,24,35H,8-11,14-17H2,1-2H3,(H,31,37)/t24-/m1/s1
InChIKeyCXEJULGNLUYSDT-XMMPIXPASA-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-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[4-oxanyl(oxo)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:128982) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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