CHEBI:194004 - 4-(3,4-dihydroxy-5-methoxyphenyl)butan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-(3,4-dihydroxy-5-methoxyphenyl)butan-2-one
ChEBI ID CHEBI:194004
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H14O4
Net Charge 0
Average Mass 210.229
Monoisotopic Mass 210.08921
InChI InChI=1S/C11H14O4/c1-7(12)3-4-8-5-9(13)11(14)10(6-8)15-2/h5-6,13-14H,3-4H2,1-2H3
InChIKey MLJHLBVGRHTZEG-UHFFFAOYSA-N
SMILES O(C1=CC(CCC(=O)C)=CC(O)=C1O)C
Metabolite of Species Details
mock community culture Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 4-(3,4-dihydroxy-5-methoxyphenyl)butan-2-one (CHEBI:194004) is a methoxybenzenes (CHEBI:51683)
4-(3,4-dihydroxy-5-methoxyphenyl)butan-2-one (CHEBI:194004) is a phenols (CHEBI:33853)
IUPAC Name
4-(3,4-dihydroxy-5-methoxyphenyl)butan-2-one
Manual Xref Database
62797670 ChemSpider
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