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CHEBI:128869 - [(1S)-1-(hydroxymethyl)-7-methoxy-1'-(phenylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone

ChEBI IDCHEBI:128869
ChEBI Name[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(phenylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone
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FormulaC28H28N4O3
Net Charge0
Average Mass468.557
Monoisotopic Mass468.21614
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CN(Cc2ccccc2)C1
InChIInChI=1S/C28H28N4O3/c1-35-21-9-10-22-23(12-21)30-26-24(15-33)32(27(34)20-8-5-11-29-13-20)18-28(25(22)26)16-31(17-28)14-19-6-3-2-4-7-19/h2-13,24,30,33H,14-18H2,1H3/t24-/m1/s1
InChIKeyLGSDFNLODLFSRV-XMMPIXPASA-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)-1-(hydroxymethyl)-7-methoxy-1'-(phenylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone (CHEBI:128869) is a harmala alkaloid (CHEBI:61379)
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