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CHEBI:131110 - [(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-phenylmethanone

ChEBI IDCHEBI:131110
ChEBI Name[(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-phenylmethanone
Stars
DownloadsMolfile
FormulaC27H31N3O3
Net Charge0
Average Mass445.563
Monoisotopic Mass445.23654
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C27H31N3O3/c1-28-22-12-20(33-2)10-11-21(22)24-25(28)23(14-31)29(13-18-8-9-18)15-27(24)16-30(17-27)26(32)19-6-4-3-5-7-19/h3-7,10-12,18,23,31H,8-9,13-17H2,1-2H3/t23-/m1/s1
InChIKeyMPDABBVNLDGYJJ-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)
[(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-phenylmethanone (CHEBI:131110) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42658LINCS