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CHEBI:175540 - 1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione

ChEBI IDCHEBI:175540
ChEBI Name1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O6
Net Charge0
Average Mass354.358
Monoisotopic Mass354.11034
SMILESCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
InChIInChI=1S/C20H18O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h2-11,23-25H,12H2,1H3/b6-2+,7-3+
InChIKeyFFRFJIZJLZXEJX-YPCIICBESA-N
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-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione (CHEBI:175540) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Manual XrefsDatabases
4579943ChemSpider
HMDB0033877HMDB
Registry NumbersSources
CAS:149732-51-4ChemIDplus