thunberginol F (CHEBI:68139)

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ChEBI Name	thunberginol F

ChEBI ID	CHEBI:68139

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H10O5

Net Charge

Average Mass

270.23690

Monoisotopic Mass

270.05282

InChI

InChI=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-

InChIKey

CFXQRFYFWXTZOJ-QPEQYQDCSA-N

SMILES

Oc1cccc2\C(OC(=O)c12)=C\c1ccc(O)c(O)c1

Metabolite of Species	Details
Scorzonera judaica (NCBI:txid895824-1)	Found in tuberous root (BTO:0001309). Dried powdered roots See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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	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 γ-lactone (CHEBI:37581) thunberginol F (CHEBI:68139) is a catechols (CHEBI:33566) thunberginol F (CHEBI:68139) is a isobenzofuranone (CHEBI:55372)

Incoming	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)-one	ChemIDplus

Last Modified

03 December 2013