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CHEBI:126820 - (1S)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:126820
ChEBI Name(1S)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC23H24N4O5
Net Charge0
Average Mass436.468
Monoisotopic Mass436.17467
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)NCC31CN(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C23H24N4O5/c1-30-14-3-4-15-16(7-14)26-21-17(8-28)24-9-23(20(15)21)10-27(11-23)22(29)25-13-2-5-18-19(6-13)32-12-31-18/h2-7,17,24,26,28H,8-12H2,1H3,(H,25,29)/t17-/m1/s1
InChIKeyVIJMTLJWVSNMKE-QGZVFWFLSA-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)
(1S)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:126820) is a harmala alkaloid (CHEBI:61379)
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