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CHEBI:27769 - 2',6'-dimethoxy-4'-hydroxyacetophenone

ChEBI IDCHEBI:27769
ChEBI Name2',6'-dimethoxy-4'-hydroxyacetophenone
Stars
DefinitionA monohydroxyacetophenone that is acetophenone substituted by methoxy groups at positions 2' and 6' and a hydroxy group at position 4'.
Secondary ChEBI IDsCHEBI:833, CHEBI:19224
Last Modified23 April 2015
DownloadsMolfile
FormulaC10H12O4
Net Charge0
Average Mass196.202
Monoisotopic Mass196.07356
SMILESCOc1cc(O)cc(OC)c1C(C)=O
InChIInChI=1S/C10H12O4/c1-6(11)10-8(13-2)4-7(12)5-9(10)14-3/h4-5,12H,1-3H3
InChIKeyAZRTXUQINTVMDW-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
2',6'-dimethoxy-4'-hydroxyacetophenone (CHEBI:27769) has role plant metabolite (CHEBI:76924)
2',6'-dimethoxy-4'-hydroxyacetophenone (CHEBI:27769) is a dimethoxybenzene (CHEBI:51681)
2',6'-dimethoxy-4'-hydroxyacetophenone (CHEBI:27769) is a monohydroxyacetophenone (CHEBI:25387)
2',6'-dimethoxy-4'-hydroxyacetophenone (CHEBI:27769) is a phenols (CHEBI:33853)
IUPAC Name 
1-(4-hydroxy-2,6-dimethoxyphenyl)ethan-1-one
Manual XrefsDatabases
C10684KEGG COMPOUND
C00002695KNApSAcK
Registry NumbersSources
Reaxys:2265937Reaxys
CAS:13246-14-5KEGG COMPOUND