CHEBI:197621 - Preubetaidone

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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 Preubetaidone
ChEBI ID CHEBI:197621
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18O6
Net Charge 0
Average Mass 354.358
Monoisotopic Mass 354.11034
InChI InChI=1S/C20H18O6/c1-20(12-5-7-15(22)17(9-12)26-3)18(23)10-13(19(20)24)11-4-6-14(21)16(8-11)25-2/h4-10,21-22H,1-3H3/t20-/m1/s1
InChIKey CKLBWKCMVPEXKM-HXUWFJFHSA-N
SMILES O=C1C(C2=CC(OC)=C(O)C=C2)=CC([C@]1(C3=CC(OC)=C(O)C=C3)C)=O
Metabolite of Species Details
Preussia typharum (NCBI:txid718249) See: PubMed
ChEBI Ontology
Outgoing Preubetaidone (CHEBI:197621) is a methoxybenzenes (CHEBI:51683)
Preubetaidone (CHEBI:197621) is a phenols (CHEBI:33853)
IUPAC Name
(2R)-2,4-bis(4-hydroxy-3-methoxyphenyl)-2-methylcyclopent-4-ene-1,3-dione
Manual Xref Database
28663312 ChemSpider
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