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CHEBI:225677 - 7-(1,4-dihydroxy-5-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-5,8-dihydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one

ChEBI IDCHEBI:225677
ChEBI Name7-(1,4-dihydroxy-5-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-5,8-dihydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O8
Net Charge0
Average Mass414.410
Monoisotopic Mass414.13147
SMILESCOC1CCC(=O)c2c(O)c(-c3cc(O)c4c(c3O)C(=O)CCC4OC)cc(O)c21
InChIInChI=1S/C22H22O8/c1-29-15-5-3-11(23)19-17(15)13(25)7-9(21(19)27)10-8-14(26)18-16(30-2)6-4-12(24)20(18)22(10)28/h7-8,15-16,25-28H,3-6H2,1-2H3
InChIKeyLPKDHIORBUNKFZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
[Malbranchea circinata (ncbitaxon:465702) - PubMed (31898904)
ChEBI Ontology
Outgoing Relation(s)
7-(1,4-dihydroxy-5-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-5,8-dihydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one (CHEBI:225677) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
7-(1,4-dihydroxy-5-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-5,8-dihydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
127444100ChemSpider