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CHEBI:228452 - 1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one

ChEBI IDCHEBI:228452
ChEBI Name1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O4
Net Charge0
Average Mass314.381
Monoisotopic Mass314.15181
SMILESO=C(CCCCc1ccc(O)cc1)CCc1ccc(O)c(O)c1
InChIInChI=1S/C19H22O4/c20-16(11-7-15-8-12-18(22)19(23)13-15)4-2-1-3-14-5-9-17(21)10-6-14/h5-6,8-10,12-13,21-23H,1-4,7,11H2
InChIKeyNORHBOUZICGKOK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one (CHEBI:228452) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one
Manual XrefsDatabases
22943512ChemSpider