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CHEBI:27396 - 3-Acetyl-6-methoxybenzaldehyde

Default Structure
ChEBI IDCHEBI:27396
ChEBI Name3-Acetyl-6-methoxybenzaldehyde
Stars
Secondary ChEBI IDsCHEBI:1443, CHEBI:19953
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H10O3
Net Charge0
Average Mass178.187
Monoisotopic Mass178.06299
SMILES[H]C(=O)c1cc(C(C)=O)ccc1OC
InChIInChI=1S/C10H10O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-6H,1-2H3
InChIKeyWGQVKYPDHREEJU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Acetyl-6-methoxybenzaldehyde (CHEBI:27396) is a benzaldehydes (CHEBI:22698)
Synonyms  Source
3-acetyl-6-methoxybenzaldehydeChEBI
3-Acetyl-6-methoxybenzaldehydeKEGG COMPOUND
Manual XrefsDatabases
C00000171KNApSAcK
C10667KEGG COMPOUND
C10667KEGG COMPOUND
Registry NumbersSources
CAS:531-99-7KEGG COMPOUND