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CHEBI:182590 - Phomalone

ChEBI IDCHEBI:182590
ChEBI NamePhomalone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O5
Net Charge0
Average Mass254.282
Monoisotopic Mass254.11542
SMILESCCCC(=O)c1c(OC)cc(O)c(CCO)c1O
InChIInChI=1S/C13H18O5/c1-3-4-9(15)12-11(18-2)7-10(16)8(5-6-14)13(12)17/h7,14,16-17H,3-6H2,1-2H3
InChIKeyPTBQWWHUOMDVFS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Phomalone (CHEBI:182590) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]butan-1-one
Manual XrefsDatabases
154977ChemSpider
Registry NumbersSources
CAS:159768-89-5ChemIDplus