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CHEBI:128778 - [(1R)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(2-pyridinyl)methanone

ChEBI IDCHEBI:128778
ChEBI Name[(1R)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(2-pyridinyl)methanone
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FormulaC22H24N4O5S
Net Charge0
Average Mass456.524
Monoisotopic Mass456.14674
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CN(S(C)(=O)=O)C1
InChIInChI=1S/C22H24N4O5S/c1-31-14-6-7-15-17(9-14)24-20-18(10-27)26(21(28)16-5-3-4-8-23-16)13-22(19(15)20)11-25(12-22)32(2,29)30/h3-9,18,24,27H,10-13H2,1-2H3/t18-/m0/s1
InChIKeyRAQOAUPORXYHHF-SFHVURJKSA-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)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(2-pyridinyl)methanone (CHEBI:128778) is a harmala alkaloid (CHEBI:61379)
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