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CHEBI:127200 - [(1R)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-cyclopropylmethanone

ChEBI IDCHEBI:127200
ChEBI Name[(1R)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-cyclopropylmethanone
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FormulaC26H28ClN3O3
Net Charge0
Average Mass465.981
Monoisotopic Mass465.18192
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CN(C(=O)C2CC2)C1
InChIInChI=1S/C26H28ClN3O3/c1-33-18-8-9-19-21(10-18)28-24-22(12-31)29(11-17-4-2-3-5-20(17)27)13-26(23(19)24)14-30(15-26)25(32)16-6-7-16/h2-5,8-10,16,22,28,31H,6-7,11-15H2,1H3/t22-/m0/s1
InChIKeyCZCWAHPUBYSOTP-QFIPXVFZSA-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)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-cyclopropylmethanone (CHEBI:127200) is a harmala alkaloid (CHEBI:61379)
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