thunberginol F 7-O-beta-D-glucopyranoside (CHEBI:68125)

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

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ChEBI ID	CHEBI:68125
ChEBI Name	thunberginol F 7-O-β-D-glucopyranoside
Stars
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 .
Last Modified	9 January 2014
Downloads	Molfile

Formula	C21H20O10
Net Charge	0
Average Mass	432.381
Monoisotopic Mass	432.10565
SMILES	O=C1O/C(=C\c2ccc(O)c(O)c2)c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21
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

Species of Metabolite	Component	Source	Comments
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)
	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 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)
	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)

IUPAC Name
(1Z)-1-(3,4-dihydroxybenzylidene)-3-oxo-1,3-dihydro-2-benzofuran-4-yl β-D-glucopyranoside

Registry Numbers	Sources
Reaxys:21646962	Reaxys

Citations