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CHEBI:130144 - (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[2-(4-morpholinyl)-1-oxoethyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:130144
ChEBI Name(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[2-(4-morpholinyl)-1-oxoethyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC29H34FN5O5
Net Charge0
Average Mass551.619
Monoisotopic Mass551.25440
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C29H34FN5O5/c1-32-23-13-21(39-2)7-8-22(23)26-27(32)24(15-36)35(28(38)31-20-5-3-19(30)4-6-20)18-29(26)16-34(17-29)25(37)14-33-9-11-40-12-10-33/h3-8,13,24,36H,9-12,14-18H2,1-2H3,(H,31,38)/t24-/m1/s1
InChIKeyMQKDKSGZCVNGPN-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-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[2-(4-morpholinyl)-1-oxoethyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:130144) is a harmala alkaloid (CHEBI:61379)
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