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CHEBI:128118 - 1,3-benzodioxol-5-yl-[(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:128118
ChEBI Name1,3-benzodioxol-5-yl-[(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
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DownloadsMolfile
FormulaC28H31N3O5
Net Charge0
Average Mass489.572
Monoisotopic Mass489.22637
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C28H31N3O5/c1-29-21-10-19(34-2)6-7-20(21)25-26(29)22(12-32)30(11-17-3-4-17)13-28(25)14-31(15-28)27(33)18-5-8-23-24(9-18)36-16-35-23/h5-10,17,22,32H,3-4,11-16H2,1-2H3/t22-/m1/s1
InChIKeyLTJLBXWGPUFOHD-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)
1,3-benzodioxol-5-yl-[(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:128118) is a harmala alkaloid (CHEBI:61379)
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