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CHEBI:130735 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(phenylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone

ChEBI IDCHEBI:130735
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(phenylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone
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DownloadsMolfile
FormulaC28H34N4O4
Net Charge0
Average Mass490.604
Monoisotopic Mass490.25801
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)CN1CCOCC1)CC31CN(Cc2ccccc2)C1
InChIInChI=1S/C28H34N4O4/c1-35-21-7-8-22-23(13-21)29-27-24(16-33)32(25(34)15-30-9-11-36-12-10-30)19-28(26(22)27)17-31(18-28)14-20-5-3-2-4-6-20/h2-8,13,24,29,33H,9-12,14-19H2,1H3/t24-/m0/s1
InChIKeyBMVKYPLNEFCAAU-DEOSSOPVSA-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-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(phenylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone (CHEBI:130735) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42284LINCS