EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:4326 - Darlingine

ChEBI IDCHEBI:4326
ChEBI NameDarlingine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H17NO2
Net Charge0
Average Mass219.284
Monoisotopic Mass219.12593
SMILESCc1oc2c(c(=O)c1C)C1CCC(C2)N1C
InChIInChI=1S/C13H17NO2/c1-7-8(2)16-11-6-9-4-5-10(14(9)3)12(11)13(7)15/h9-10H,4-6H2,1-3H3
InChIKeyWBTZDCUVPGAROE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Darlingine (CHEBI:4326) is a oxacycle (CHEBI:38104)
Synonym  Source
DarlingineKEGG COMPOUND
Manual XrefsDatabases
C10857KEGG COMPOUND
C00002290KNApSAcK
Registry NumbersSources
CAS:58471-10-6KEGG COMPOUND