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

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ChEBI Name 1-(4-(3-hydroxy-5-(hydroxymethyl)phenoxy)-2-methoxy-6-methylphenyl)-3-methylbut-3-en-2-one
ChEBI ID CHEBI:226616
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H22O5
Net Charge 0
Average Mass 342.391
Monoisotopic Mass 342.14672
InChI InChI=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
InChIKey HKTJZTDDLVEWTC-UHFFFAOYSA-N
SMILES O=C(C(=C)C)CC1=C(OC)C=C(OC2=CC(O)=CC(=C2)CO)C=C1C
Metabolite of Species Details
Diaporthe fukushii (NCBI:txid311452) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78435769 ChemSpider
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