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CHEBI:130871 - 1-[(1S)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-cyclopropylethanone

ChEBI IDCHEBI:130871
ChEBI Name1-[(1S)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-cyclopropylethanone
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DownloadsMolfile
FormulaC27H35N3O4
Net Charge0
Average Mass465.594
Monoisotopic Mass465.26276
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CN(C(=O)CC2CC2)C1
InChIInChI=1S/C27H35N3O4/c1-28-21-12-19(34-2)9-10-20(21)24-25(28)22(13-31)30(26(33)18-5-3-4-6-18)16-27(24)14-29(15-27)23(32)11-17-7-8-17/h9-10,12,17-18,22,31H,3-8,11,13-16H2,1-2H3/t22-/m1/s1
InChIKeyBNKASBYUNURLAO-JOCHJYFZSA-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)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-cyclopropylethanone (CHEBI:130871) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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