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CHEBI:129632 - (1S)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(3-pyridinyl)methyl]-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:129632
ChEBI Name(1S)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(3-pyridinyl)methyl]-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC25H29N5O4
Net Charge0
Average Mass463.538
Monoisotopic Mass463.22195
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(C(=O)c2cccnc2)C1
InChIInChI=1S/C25H29N5O4/c1-15(2)27-24(33)30-14-25(12-29(13-25)23(32)16-5-4-8-26-10-16)21-18-7-6-17(34-3)9-19(18)28-22(21)20(30)11-31/h4-10,15,20,28,31H,11-14H2,1-3H3,(H,27,33)/t20-/m1/s1
InChIKeyPVPFWHYBAZYTSA-HXUWFJFHSA-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-1'-[oxo(3-pyridinyl)methyl]-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:129632) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41183LINCS