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CHEBI:68130 - (E)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)dihydrofuran-2-one

ChEBI IDCHEBI:68130
ChEBI Name(E)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)dihydrofuran-2-one
Stars
ASCII Name(E)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)dihydrofuran-2-one
DefinitionA butan-4-olide that is dihydrofuran-2(3H)-one substituted by a 3,4-dihydroxybenzylidene group at position 3 and a 3,4-dihydroxyphenyl group at position 5. It has been isolated from the roots of Scorzonera judaica.
Last Modified9 January 2014
DownloadsMolfile
FormulaC17H14O6
Net Charge0
Average Mass314.293
Monoisotopic Mass314.07904
SMILESO=C1OC(c2ccc(O)c(O)c2)C/C1=C\c1ccc(O)c(O)c1
InChIInChI=1S/C17H14O6/c18-12-3-1-9(6-14(12)20)5-11-8-16(23-17(11)22)10-2-4-13(19)15(21)7-10/h1-7,16,18-21H,8H2/b11-5+
InChIKeyUBOOMSUOPIZYEU-VZUCSPMQSA-N
Species of MetaboliteComponentSourceComments
Scorzonera judaica (ncbitaxon:895824-1) tuberous root (BTO:0001309) PubMed (21650157) Dried powdered roots
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)
(E)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)dihydrofuran-2-one (CHEBI:68130) has role plant metabolite (CHEBI:76924)
(E)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)dihydrofuran-2-one (CHEBI:68130) is a butan-4-olide (CHEBI:22950)
(E)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)dihydrofuran-2-one (CHEBI:68130) is a catechols (CHEBI:33566)
IUPAC Name 
(3E)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)dihydrofuran-2(3H)-one
Registry NumbersSources
Reaxys:21646960Reaxys
Citations