EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172147 - Lansimide 3

ChEBI IDCHEBI:172147
ChEBI NameLansimide 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21NO3
Net Charge0
Average Mass311.381
Monoisotopic Mass311.15214
SMILESCOC(c1ccccc1)C1C(c2ccccc2)C(O)C(=O)N1C
InChIInChI=1S/C19H21NO3/c1-20-16(18(23-2)14-11-7-4-8-12-14)15(17(21)19(20)22)13-9-5-3-6-10-13/h3-12,15-18,21H,1-2H3
InChIKeyMNNOPIIJDXUZST-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Lansimide 3 (CHEBI:172147) is a pyrrolidines (CHEBI:38260)
IUPAC Name 
3-hydroxy-5-[methoxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
Manual XrefsDatabases
35013094ChemSpider
HMDB0029858HMDB