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CHEBI:130911 - 1-[(1S)-1'-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:130911
ChEBI Name1-[(1S)-1'-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC27H29N3O6
Net Charge0
Average Mass491.544
Monoisotopic Mass491.20564
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C27H29N3O6/c1-16(32)30-14-27(24-19-5-4-18(34-2)12-20(19)28-25(24)21(30)13-31)7-9-29(10-8-27)26(33)17-3-6-22-23(11-17)36-15-35-22/h3-6,11-12,21,28,31H,7-10,13-15H2,1-2H3/t21-/m1/s1
InChIKeyCNXBXNFKSPAOAI-OAQYLSRUSA-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)-1'-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:130911) is a harmala alkaloid (CHEBI:61379)
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