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CHEBI:129239 - 1,3-benzodioxol-5-yl-[(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:129239
ChEBI Name1,3-benzodioxol-5-yl-[(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC30H35N3O5
Net Charge0
Average Mass517.626
Monoisotopic Mass517.25767
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C30H35N3O5/c1-31-23-14-21(36-2)6-7-22(23)27-28(31)24(16-34)33(15-19-3-4-19)17-30(27)9-11-32(12-10-30)29(35)20-5-8-25-26(13-20)38-18-37-25/h5-8,13-14,19,24,34H,3-4,9-12,15-18H2,1-2H3/t24-/m1/s1
InChIKeyJMQKFCXXDQUQRA-XMMPIXPASA-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-4,4'-piperidine]yl]methanone (CHEBI:129239) is a harmala alkaloid (CHEBI:61379)
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