EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229047 - Allosecurinine

ChEBI IDCHEBI:229047
ChEBI NameAllosecurinine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H15NO2
Net Charge0
Average Mass217.268
Monoisotopic Mass217.11028
SMILES[H][C@@]12C=CC3=CC(=O)O[C@]3(C1)[C@]1([H])CCCCN21
InChIInChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11+,13+/m1/s1
InChIKeySWZMSZQQJRKFBP-MDZLAQPJSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Allosecurinine (CHEBI:229047) is a indolizines (CHEBI:38485)
IUPAC Name 
(1S,2S,8S)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
Manual XrefsDatabases
20002231ChemSpider