CHEBI:6054 - Isosafrole

ChEBI IDCHEBI:6054
ChEBI NameIsosafrole
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H10O2
Net Charge0
Average Mass162.188
Monoisotopic Mass162.06808
SMILESC/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
InChIKeyVHVOLFRBFDOUSH-NSCUHMNNSA-N
ChEBI Ontology
Outgoing Relation(s)
Isosafrole (CHEBI:6054) is a benzodioxoles (CHEBI:38298)
Synonym  Source
IsosafroleKEGG COMPOUND
Manual XrefsDatabases
C00002753KNApSAcK
C10472KEGG COMPOUND
Registry NumbersSources
CAS:120-58-1KEGG COMPOUND