EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130955 - [(1R)-7-methoxy-2-methylsulfonyl-1'-(4-oxanylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:130955
ChEBI Name[(1R)-7-methoxy-2-methylsulfonyl-1'-(4-oxanylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
Stars
DownloadsMolfile
FormulaC22H31N3O5S
Net Charge0
Average Mass449.573
Monoisotopic Mass449.19844
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(S(C)(=O)=O)CC31CN(CC2CCOCC2)C1
InChIInChI=1S/C22H31N3O5S/c1-29-16-3-4-17-18(9-16)23-21-19(11-26)25(31(2,27)28)14-22(20(17)21)12-24(13-22)10-15-5-7-30-8-6-15/h3-4,9,15,19,23,26H,5-8,10-14H2,1-2H3/t19-/m0/s1
InChIKeyHUSJGAJZRUEBSA-IBGZPJMESA-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)-7-methoxy-2-methylsulfonyl-1'-(4-oxanylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:130955) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42503LINCS