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CHEBI:128854 - [(1R)-1-(hydroxymethyl)-7-methoxy-1'-(4-methoxyphenyl)sulfonyl-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone

ChEBI IDCHEBI:128854
ChEBI Name[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(4-methoxyphenyl)sulfonyl-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone
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DownloadsMolfile
FormulaC29H30N4O6S
Net Charge0
Average Mass562.648
Monoisotopic Mass562.18861
SMILESCOc1ccc(S(=O)(=O)N2CC3(CN(C(=O)c4cccnc4)[C@@H](CO)c4c3c3ccc(OC)cc3n4C)C2)cc1
InChIInChI=1S/C29H30N4O6S/c1-31-24-13-21(39-3)8-11-23(24)26-27(31)25(15-34)33(28(35)19-5-4-12-30-14-19)18-29(26)16-32(17-29)40(36,37)22-9-6-20(38-2)7-10-22/h4-14,25,34H,15-18H2,1-3H3/t25-/m0/s1
InChIKeyUZBKZSZRCPDHPB-VWLOTQADSA-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'-(4-methoxyphenyl)sulfonyl-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(3-pyridinyl)methanone (CHEBI:128854) is a harmala alkaloid (CHEBI:61379)
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