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CHEBI:9079 - Securinine

ChEBI IDCHEBI:9079
ChEBI NameSecurinine
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC13H15NO2
Net Charge0
Average Mass217.268
Monoisotopic Mass217.11028
SMILES[H][C@]12CCCCN1[C@@H]1C=CC3=CC(=O)O[C@@]32C1
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-WZRBSPASSA-N
ChEBI Ontology
Outgoing Relation(s)
Securinine (CHEBI:9079) is a indolizines (CHEBI:38485)
Synonym  Source
SecurinineKEGG COMPOUND
Manual XrefsDatabases
C10614KEGG COMPOUND
C00002360KNApSAcK
LSM-6733LINCS
Registry NumbersSources
CAS:5610-40-2KEGG COMPOUND