EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:130744 - [(1R)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-phenylmethanone

ChEBI IDCHEBI:130744
ChEBI Name[(1R)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-phenylmethanone
Stars
DownloadsMolfile
FormulaC31H30FN3O4
Net Charge0
Average Mass527.596
Monoisotopic Mass527.22203
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)c1cccc(F)c1)CC31CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C31H30FN3O4/c1-39-23-10-11-24-25(17-23)33-28-26(18-36)35(30(38)21-8-5-9-22(32)16-21)19-31(27(24)28)12-14-34(15-13-31)29(37)20-6-3-2-4-7-20/h2-11,16-17,26,33,36H,12-15,18-19H2,1H3/t26-/m0/s1
InChIKeyZYYBHLVWCREXQP-SANMLTNESA-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-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-phenylmethanone (CHEBI:130744) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42293LINCS