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CHEBI:128517 - (1R)-2-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:128517
ChEBI Name(1R)-2-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC31H35N5O6
Net Charge0
Average Mass573.650
Monoisotopic Mass573.25873
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1ccc2c(c1)OCO2)CC31CCN(C(=O)Nc2c(C)noc2C)CC1
InChIInChI=1S/C31H35N5O6/c1-18-28(19(2)42-34-18)33-30(38)35-10-8-31(9-11-35)16-36(14-20-4-7-25-26(12-20)41-17-40-25)24(15-37)29-27(31)22-6-5-21(39-3)13-23(22)32-29/h4-7,12-13,24,32,37H,8-11,14-17H2,1-3H3,(H,33,38)/t24-/m0/s1
InChIKeyFSDCLBZDVWEDJG-DEOSSOPVSA-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)
(1R)-2-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:128517) is a harmala alkaloid (CHEBI:61379)
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