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CHEBI:128880 - 1-[(1S)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone

ChEBI IDCHEBI:128880
ChEBI Name1-[(1S)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone
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FormulaC25H28ClN3O3
Net Charge0
Average Mass453.970
Monoisotopic Mass453.18192
SMILESCCC(=O)N1CC2(C1)CN(Cc1ccccc1Cl)[C@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C25H28ClN3O3/c1-3-22(31)29-14-25(15-29)13-28(11-16-6-4-5-7-19(16)26)21(12-30)24-23(25)18-9-8-17(32-2)10-20(18)27-24/h4-10,21,27,30H,3,11-15H2,1-2H3/t21-/m1/s1
InChIKeyRHUOFKDQGXIEDK-OAQYLSRUSA-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)
1-[(1S)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone (CHEBI:128880) is a harmala alkaloid (CHEBI:61379)
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