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CHEBI:190830 - 1-hydroxy-1-(4-methoxyphenyl)-4-methylpentan-3-one

ChEBI IDCHEBI:190830
ChEBI Name1-hydroxy-1-(4-methoxyphenyl)-4-methylpentan-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O3
Net Charge0
Average Mass222.284
Monoisotopic Mass222.12559
SMILESCOc1ccc(C(O)CC(=O)C(C)C)cc1
InChIInChI=1S/C13H18O3/c1-9(2)12(14)8-13(15)10-4-6-11(16-3)7-5-10/h4-7,9,13,15H,8H2,1-3H3
InChIKeyYVUDKWMRXUYYQI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
1-hydroxy-1-(4-methoxyphenyl)-4-methylpentan-3-one (CHEBI:190830) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
1-hydroxy-1-(4-methoxyphenyl)-4-methylpentan-3-one
Manual XrefsDatabases
HMDB0132941HMDB
74853058ChemSpider