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CHEBI:129210 - [(1R)-7-methoxy-9-methyl-1'-[(5-phenyl-3-isoxazolyl)methyl]-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

Default Structure
ChEBI IDCHEBI:129210
ChEBI Name[(1R)-7-methoxy-9-methyl-1'-[(5-phenyl-3-isoxazolyl)methyl]-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC26H28N4O3
Net Charge0
Average Mass444.535
Monoisotopic Mass444.21614
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C26H28N4O3/c1-29-22-11-19(32-2)8-9-20(22)24-25(29)21(13-31)27-14-26(24)15-30(16-26)12-18-10-23(33-28-18)17-6-4-3-5-7-17/h3-11,21,27,31H,12-16H2,1-2H3/t21-/m0/s1
InChIKeyHTYMVBFWHRFNHK-NRFANRHFSA-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)-7-methoxy-9-methyl-1'-[(5-phenyl-3-isoxazolyl)methyl]-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:129210) is a harmala alkaloid (CHEBI:61379)
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