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

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ChEBI Name 1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one
ChEBI ID CHEBI:228452
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H22O4
Net Charge 0
Average Mass 314.381
Monoisotopic Mass 314.15181
InChI InChI=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
InChIKey NORHBOUZICGKOK-UHFFFAOYSA-N
SMILES O=C(CCCCC1=CC=C(O)C=C1)CCC2=CC(O)=C(O)C=C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
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ChEBI Ontology
Outgoing 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 Xref Database
22943512 ChemSpider
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