CHEBI:68125 - thunberginol F 7-O-β-D-glucopyranoside

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ChEBI Name thunberginol F 7-O-β-D-glucopyranoside
ChEBI ID CHEBI:68125
ChEBI ASCII Name thunberginol F 7-O-beta-D-glucopyranoside
Definition An isobenzofuranone that is thunberginol F attached to a β-D-glucopyranosyl group at position 4 via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica .
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H20O10
Net Charge 0
Average Mass 432.37750
Monoisotopic Mass 432.10565
InChI InChI=1S/C21H20O10/c22-8-15-17(25)18(26)19(27)21(31-15)30-13-3-1-2-10-14(29-20(28)16(10)13)7-9-4-5-11(23)12(24)6-9/h1-7,15,17-19,21-27H,8H2/b14-7-/t15-,17-,18+,19-,21-/m1/s1
InChIKey QJVBIFNWYBLVDD-APMKNHDFSA-N
SMILES OC[C@H]1O[C@@H](Oc2cccc3\C(OC(=O)c23)=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thunberginol F 7-O-β-D-glucopyranoside (CHEBI:68125) has functional parent thunberginol F (CHEBI:68139)
thunberginol F 7-O-β-D-glucopyranoside (CHEBI:68125) has role plant metabolite (CHEBI:76924)
thunberginol F 7-O-β-D-glucopyranoside (CHEBI:68125) is a β-D-glucoside (CHEBI:22798)
thunberginol F 7-O-β-D-glucopyranoside (CHEBI:68125) is a γ-lactone (CHEBI:37581)
thunberginol F 7-O-β-D-glucopyranoside (CHEBI:68125) is a catechols (CHEBI:33566)
thunberginol F 7-O-β-D-glucopyranoside (CHEBI:68125) is a isobenzofuranone (CHEBI:55372)
thunberginol F 7-O-β-D-glucopyranoside (CHEBI:68125) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
(1Z)-1-(3,4-dihydroxybenzylidene)-3-oxo-1,3-dihydro-2-benzofuran-4-yl β-D-glucopyranoside
Registry Number Type Source
21646962 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21650157 PubMed citation Europe PMC
Last Modified
09 January 2014