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CHEBI:130062 - cyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-[(3-methoxyphenyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:130062
ChEBI Namecyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-[(3-methoxyphenyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
Stars
DownloadsMolfile
FormulaC27H31N3O4
Net Charge0
Average Mass461.562
Monoisotopic Mass461.23146
SMILESCOc1cccc(CN2CC3(C2)CN(C(=O)C2CC2)[C@H](CO)c2nc4cc(OC)ccc4c23)c1
InChIInChI=1S/C27H31N3O4/c1-33-19-5-3-4-17(10-19)12-29-14-27(15-29)16-30(26(32)18-6-7-18)23(13-31)25-24(27)21-9-8-20(34-2)11-22(21)28-25/h3-5,8-11,18,23,28,31H,6-7,12-16H2,1-2H3/t23-/m1/s1
InChIKeyQZBQBHRMKOJOLZ-HSZRJFAPSA-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)
cyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-[(3-methoxyphenyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:130062) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41613LINCS