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CHEBI:126871 - (1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-methylsulfonyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:126871
ChEBI Name(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-methylsulfonyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
Stars
DownloadsMolfile
FormulaC21H30N4O5S
Net Charge0
Average Mass450.561
Monoisotopic Mass450.19369
SMILESCCCNC(=O)N1CC2(CN(S(C)(=O)=O)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C21H30N4O5S/c1-5-8-22-20(27)25-13-21(11-24(12-21)31(4,28)29)18-15-7-6-14(30-3)9-16(15)23(2)19(18)17(25)10-26/h6-7,9,17,26H,5,8,10-13H2,1-4H3,(H,22,27)/t17-/m0/s1
InChIKeyHFAAOHKNTOJTBC-KRWDZBQOSA-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-1'-methylsulfonyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:126871) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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