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CHEBI:204198 - 1-hydroxy-4-(3,5-dimethyl-4-hydroxyphenyl)pentan-3-one

ChEBI IDCHEBI:204198
ChEBI Name1-hydroxy-4-(3,5-dimethyl-4-hydroxyphenyl)pentan-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O3
Net Charge0
Average Mass222.284
Monoisotopic Mass222.12559
SMILESCc1cc([C@@H](C)C(=O)CCO)cc(C)c1O
InChIInChI=1S/C13H18O3/c1-8-6-11(7-9(2)13(8)16)10(3)12(15)4-5-14/h6-7,10,14,16H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyAOHGTFWDXLJRRI-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1007/s10600-014-1043-4)
ChEBI Ontology
Outgoing Relation(s)
1-hydroxy-4-(3,5-dimethyl-4-hydroxyphenyl)pentan-3-one (CHEBI:204198) is a hydroxytoluene (CHEBI:24751)
IUPAC Name 
1-hydroxy-4-(4-hydroxy-3,5-dimethylphenyl)pentan-3-one
Manual XrefsDatabases
67175023ChemSpider