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CHEBI:68139 - thunberginol F

ChEBI IDCHEBI:68139
ChEBI Namethunberginol F
Stars
DefinitionAn isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a 3,4-dihydroxybenzylidene group at position 3. It has been isolated from the roots of Scorzonera judaica.
Last Modified3 December 2013
DownloadsMolfile
FormulaC15H10O5
Net Charge0
Average Mass270.240
Monoisotopic Mass270.05282
SMILESO=C1O/C(=C\c2ccc(O)c(O)c2)c2cccc(O)c21
InChIInChI=1S/C15H10O5/c16-10-5-4-8(6-12(10)18)7-13-9-2-1-3-11(17)14(9)15(19)20-13/h1-7,16-18H/b13-7-
InChIKeyCFXQRFYFWXTZOJ-QPEQYQDCSA-N
Species of MetaboliteComponentSourceComments
Scorzonera judaica (ncbitaxon:895824-1) tuberous root (BTO:0001309) PubMed (21650157) Dried powdered roots
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
thunberginol F (CHEBI:68139) has role metabolite (CHEBI:25212)
thunberginol F (CHEBI:68139) has role plant metabolite (CHEBI:76924)
thunberginol F (CHEBI:68139) is a catechols (CHEBI:33566)
thunberginol F (CHEBI:68139) is a isobenzofuranone (CHEBI:55372)
thunberginol F (CHEBI:68139) is a γ-lactone (CHEBI:37581)
Incoming Relation(s)
thunberginol F 7-O-β-D-glucopyranoside (CHEBI:68125) has functional parent thunberginol F (CHEBI:68139)
IUPAC Name 
(3Z)-3-(3,4-dihydroxybenzylidene)-7-hydroxy-2-benzofuran-1(3H)-one
Synonym  Source
(Z)-3-((3,4-dihydroxyphenyl)methylene)-7-hydroxy-isobenzofuran-1(3H)-oneChemIDplus
Registry NumbersSources
Reaxys:6147567Reaxys
CAS:147666-82-8ChemIDplus
Citations