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CHEBI:125822 - [(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(3-pyridinylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone

ChEBI IDCHEBI:125822
ChEBI Name[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(3-pyridinylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone
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DownloadsMolfile
FormulaC28H29N5O3
Net Charge0
Average Mass483.572
Monoisotopic Mass483.22704
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccnc1)CC31CN(C(=O)c2cccnc2)C1
InChIInChI=1S/C28H29N5O3/c1-31-23-11-21(36-2)7-8-22(23)25-26(31)24(15-34)32(14-19-5-3-9-29-12-19)16-28(25)17-33(18-28)27(35)20-6-4-10-30-13-20/h3-13,24,34H,14-18H2,1-2H3/t24-/m0/s1
InChIKeyFXFGNFJWRDZQPC-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)
[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(3-pyridinylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone (CHEBI:125822) is a harmala alkaloid (CHEBI:61379)
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