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CHEBI:129243 - (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(2-methoxy-1-oxoethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:129243
ChEBI Name(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(2-methoxy-1-oxoethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC25H27FN4O5
Net Charge0
Average Mass482.512
Monoisotopic Mass482.19655
SMILESCOCC(=O)N1CC2(C1)CN(C(=O)Nc1ccccc1F)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C25H27FN4O5/c1-34-11-21(32)29-12-25(13-29)14-30(24(33)28-18-6-4-3-5-17(18)26)20(10-31)23-22(25)16-8-7-15(35-2)9-19(16)27-23/h3-9,20,27,31H,10-14H2,1-2H3,(H,28,33)/t20-/m0/s1
InChIKeyKJGKBEWVZMGFHV-FQEVSTJZSA-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-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(2-methoxy-1-oxoethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:129243) is a harmala alkaloid (CHEBI:61379)
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