CHEBI:6054 - Isosafrole

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ChEBI Name Isosafrole ChEBI ID CHEBI:6054 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H10O2 Net Charge 0 Average Mass 162.186 Monoisotopic Mass 162.06808 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 View more database links Registry Number Type Source 120-58-1 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014