EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:31391 - Cherylline

ChEBI IDCHEBI:31391
ChEBI NameCherylline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H19NO3
Net Charge0
Average Mass285.343
Monoisotopic Mass285.13649
SMILESCOc1cc2c(cc1O)CN(C)C[C@H]2c1ccc(O)cc1
InChIInChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3/t15-/m0/s1
InChIKeyVXXVFIKKBBVGIR-HNNXBMFYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cherylline (CHEBI:31391) is a isoquinolines (CHEBI:24922)
Synonym  Source
CheryllineKEGG COMPOUND
Manual XrefsDatabases
C12167KEGG COMPOUND
C00024385KNApSAcK
C00028042KNApSAcK
C00024372KNApSAcK