EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111236 - N-(4-chlorophenoxy)sulfonylcarbamic acid [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl ester

ChEBI IDCHEBI:111236
ChEBI NameN-(4-chlorophenoxy)sulfonylcarbamic acid [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl ester
Stars
DownloadsMolfile
FormulaC17H23ClN2O5S
Net Charge0
Average Mass402.900
Monoisotopic Mass402.10162
SMILESO=C(NS(=O)(=O)Oc1ccc(Cl)cc1)OC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C17H23ClN2O5S/c18-14-6-8-15(9-7-14)25-26(22,23)19-17(21)24-12-13-4-3-11-20-10-2-1-5-16(13)20/h6-9,13,16H,1-5,10-12H2,(H,19,21)/t13-,16+/m0/s1
InChIKeyMZLRSFBNYSKEPU-XJKSGUPXSA-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)
N-(4-chlorophenoxy)sulfonylcarbamic acid [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl ester (CHEBI:111236) is a quinolizidine alkaloid (CHEBI:26515)
Manual XrefsDatabases
LSM-22692LINCS