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CHEBI:126725 - [(1S)-2-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1'-propyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:126725
ChEBI Name[(1S)-2-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1'-propyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC28H35N3O4
Net Charge0
Average Mass477.605
Monoisotopic Mass477.26276
SMILESCCCN1CCC2(CC1)CN(Cc1ccc3c(c1)OCO3)[C@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C28H35N3O4/c1-3-10-30-11-8-28(9-12-30)17-31(15-19-4-7-24-25(13-19)35-18-34-24)23(16-32)27-26(28)21-6-5-20(33-2)14-22(21)29-27/h4-7,13-14,23,29,32H,3,8-12,15-18H2,1-2H3/t23-/m1/s1
InChIKeyGANGKNOBYWVQPF-HSZRJFAPSA-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)-2-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1'-propyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:126725) is a harmala alkaloid (CHEBI:61379)
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