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CHEBI:130705 - (1R)-1'-(cyclopropylmethyl)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:130705
ChEBI Name(1R)-1'-(cyclopropylmethyl)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC26H33N5O4
Net Charge0
Average Mass479.581
Monoisotopic Mass479.25325
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CN(CC2CC2)C1
InChIInChI=1S/C26H33N5O4/c1-15-23(16(2)35-28-15)27-25(33)31-14-26(12-30(13-26)10-17-5-6-17)22-19-8-7-18(34-4)9-20(19)29(3)24(22)21(31)11-32/h7-9,17,21,32H,5-6,10-14H2,1-4H3,(H,27,33)/t21-/m0/s1
InChIKeyXKSIWSGTCPACLT-NRFANRHFSA-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)-1'-(cyclopropylmethyl)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:130705) is a harmala alkaloid (CHEBI:61379)
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