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CHEBI:126435 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone

ChEBI IDCHEBI:126435
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone
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DownloadsMolfile
FormulaC20H27N3O6S
Net Charge0
Average Mass437.518
Monoisotopic Mass437.16206
SMILESCOCC(=O)N1CC2(C1)CN(S(C)(=O)=O)[C@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C20H27N3O6S/c1-21-15-7-13(29-3)5-6-14(15)18-19(21)16(8-24)23(30(4,26)27)12-20(18)10-22(11-20)17(25)9-28-2/h5-7,16,24H,8-12H2,1-4H3/t16-/m1/s1
InChIKeySBUHFYFAKJYXSN-MRXNPFEDSA-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-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone (CHEBI:126435) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37999LINCS