CHEBI:6054 - Isosafrole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isosafrole
ChEBI ID CHEBI:6054
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C10H10O2
Net Charge 0
Average Mass 162.186
Monoisotopic Mass 162.068
InChI InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
InChIKey VHVOLFRBFDOUSH-NSCUHMNNSA-N
SMILES C\C=C\c1ccc2OCOc2c1
ChEBI Ontology
Outgoing Isosafrole (CHEBI:6054) is a benzodioxoles (CHEBI:38298)
Synonym Source
Isosafrole KEGG COMPOUND
Manual Xrefs Databases
C00002753 KNApSAcK
C10472 KEGG COMPOUND
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Registry Number Type Source
120-58-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014