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CHEBI:116680 - 1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

ChEBI IDCHEBI:116680
ChEBI Name1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
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DownloadsMolfile
FormulaC30H31FN4O3
Net Charge0
Average Mass514.601
Monoisotopic Mass514.23802
SMILESCOc1ccc(C2NC(C(=O)O)Cc3c2nc2ccccc32)cc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C30H31FN4O3/c1-38-27-11-6-19(16-20(27)18-34-12-14-35(15-13-34)22-9-7-21(31)8-10-22)28-29-24(17-26(33-28)30(36)37)23-4-2-3-5-25(23)32-29/h2-11,16,26,28,32-33H,12-15,17-18H2,1H3,(H,36,37)
InChIKeyNMHUDCOGYBAHCI-UHFFFAOYSA-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-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CHEBI:116680) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-28135LINCS