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CHEBI:130827 - (1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(4-oxanylmethyl)-N-propan-2-yl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:130827
ChEBI Name(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(4-oxanylmethyl)-N-propan-2-yl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC28H42N4O4
Net Charge0
Average Mass498.668
Monoisotopic Mass498.32061
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CCN(CC2CCOCC2)CC1
InChIInChI=1S/C28H42N4O4/c1-19(2)29-27(34)32-18-28(9-11-31(12-10-28)16-20-7-13-36-14-8-20)25-22-6-5-21(35-4)15-23(22)30(3)26(25)24(32)17-33/h5-6,15,19-20,24,33H,7-14,16-18H2,1-4H3,(H,29,34)/t24-/m1/s1
InChIKeyBQCVDDOTVCTRIE-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)
(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(4-oxanylmethyl)-N-propan-2-yl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:130827) is a harmala alkaloid (CHEBI:61379)
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