EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224923 - (3S,9aR)-3-benzyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione

ChEBI IDCHEBI:224923
ChEBI Name(3S,9aR)-3-benzyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18N2O2
Net Charge0
Average Mass258.321
Monoisotopic Mass258.13683
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N2CCCC[C@H]12
InChIInChI=1S/C15H18N2O2/c18-14-13-8-4-5-9-17(13)15(19)12(16-14)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,16,18)/t12-,13+/m0/s1
InChIKeyKBROKGQCALWRSB-QWHCGFSZSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonas haloplanktis (ncbitaxon:228) - PubMed (15988629)
ChEBI Ontology
Outgoing Relation(s)
(3S,9aR)-3-benzyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (CHEBI:224923) is a organic heterobicyclic compound (CHEBI:27171)
(3S,9aR)-3-benzyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione (CHEBI:224923) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(3S,9aR)-3-benzyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
Manual XrefsDatabases
10143234ChemSpider