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CHEBI:226857 - Phomalichenone A

ChEBI IDCHEBI:226857
ChEBI NamePhomalichenone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O4
Net Charge0
Average Mass236.267
Monoisotopic Mass236.10486
SMILESC/C=C/C(=O)c1c(OC)cc(O)c(CC)c1O
InChIInChI=1S/C13H16O4/c1-4-6-9(14)12-11(17-3)7-10(15)8(5-2)13(12)16/h4,6-7,15-16H,5H2,1-3H3/b6-4+
InChIKeyBRDWSHDBOUZLKP-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - PubMed (29700423)
ChEBI Ontology
Outgoing Relation(s)
Phomalichenone A (CHEBI:226857) is a methoxybenzenes (CHEBI:51683)
Phomalichenone A (CHEBI:226857) is a phenols (CHEBI:33853)
IUPAC Name 
(E)-1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)but-2-en-1-one
Manual XrefsDatabases
78435380ChemSpider