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CHEBI:226616 - 1-(4-(3-hydroxy-5-(hydroxymethyl)phenoxy)-2-methoxy-6-methylphenyl)-3-methylbut-3-en-2-one

ChEBI IDCHEBI:226616
ChEBI Name1-(4-(3-hydroxy-5-(hydroxymethyl)phenoxy)-2-methoxy-6-methylphenyl)-3-methylbut-3-en-2-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O5
Net Charge0
Average Mass342.391
Monoisotopic Mass342.14672
SMILESC=C(C)C(=O)Cc1c(C)cc(Oc2cc(O)cc(CO)c2)cc1OC
InChIInChI=1S/C20H22O5/c1-12(2)19(23)10-18-13(3)5-16(9-20(18)24-4)25-17-7-14(11-21)6-15(22)8-17/h5-9,21-22H,1,10-11H2,2-4H3
InChIKeyHKTJZTDDLVEWTC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Diaporthe fukushii (ncbitaxon:311452) - PubMed (29348531)
ChEBI Ontology
Outgoing Relation(s)
1-(4-(3-hydroxy-5-(hydroxymethyl)phenoxy)-2-methoxy-6-methylphenyl)-3-methylbut-3-en-2-one (CHEBI:226616) is a aromatic ether (CHEBI:35618)
IUPAC Name 
1-[4-[3-hydroxy-5-(hydroxymethyl)phenoxy]-2-methoxy-6-methylphenyl]-3-methylbut-3-en-2-one
Manual XrefsDatabases
78435769ChemSpider