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

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ChEBI Name 1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
ChEBI ID CHEBI:175540
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000064512333
Download Molfile XML SDF
Formula C20H18O6
Net Charge 0
Average Mass 354.358
Monoisotopic Mass 354.11034
InChI InChI=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+
InChIKey FFRFJIZJLZXEJX-YPCIICBESA-N
SMILES O(C=1C=C(C=CC1O)/C=C/C(=O)CC(=O)\C=C\C2=CC(O)=C(O)C=C2)C
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-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 Xrefs Databases
4579943 ChemSpider
HMDB0033877 HMDB
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Registry Number Type Source
149732-51-4 CAS Registry Number ChemIDplus