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CHEBI:197621 - Preubetaidone

ChEBI IDCHEBI:197621
ChEBI NamePreubetaidone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O6
Net Charge0
Average Mass354.358
Monoisotopic Mass354.11034
SMILESCOc1cc(C2=CC(=O)[C@@](C)(c3ccc(O)c(OC)c3)C2=O)ccc1O
InChIInChI=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
InChIKeyCKLBWKCMVPEXKM-HXUWFJFHSA-N
Species of MetaboliteComponentSourceComments
Preussia typharum (ncbitaxon:718249) - PubMed (23046341)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
28663312ChemSpider