CHEBI:68133 - hydrangenol 8-O-β-D-glucopyranoside

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ChEBI Name hydrangenol 8-O-β-D-glucopyranoside
ChEBI ID CHEBI:68133
ChEBI ASCII Name hydrangenol 8-O-beta-D-glucopyranoside
Definition A member of the class of dihydroisocoumarins that is hydrangenol attached to a β-D-glucopyranosyl residue at position 8 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
Download Molfile XML SDF
Formula C21H22O9
Net Charge 0
Average Mass 418.39400
Monoisotopic Mass 418.12638
InChI InChI=1S/C21H22O9/c22-9-15-17(24)18(25)19(26)21(30-15)29-13-3-1-2-11-8-14(28-20(27)16(11)13)10-4-6-12(23)7-5-10/h1-7,14-15,17-19,21-26H,8-9H2/t14?,15-,17-,18+,19-,21-/m1/s1
InChIKey IKTPWMTZNXOEIV-VRKGAULQSA-N
SMILES OC[C@H]1O[C@@H](Oc2cccc3CC(OC(=O)c23)c2ccc(O)cc2)[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, compound is the mixture of 3S and 3R isomers 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hydrangenol 8-O-β-D-glucopyranoside (CHEBI:68133) has functional parent hydrangenol (CHEBI:5776)
hydrangenol 8-O-β-D-glucopyranoside (CHEBI:68133) has role metabolite (CHEBI:25212)
hydrangenol 8-O-β-D-glucopyranoside (CHEBI:68133) has role plant metabolite (CHEBI:76924)
hydrangenol 8-O-β-D-glucopyranoside (CHEBI:68133) is a β-D-glucoside (CHEBI:22798)
hydrangenol 8-O-β-D-glucopyranoside (CHEBI:68133) is a dihydroisocoumarins (CHEBI:76546)
hydrangenol 8-O-β-D-glucopyranoside (CHEBI:68133) is a monosaccharide derivative (CHEBI:63367)
hydrangenol 8-O-β-D-glucopyranoside (CHEBI:68133) is a phenols (CHEBI:33853)
IUPAC Name
3-(4-hydroxyphenyl)-1-oxo-3,4-dihydro-1H-isochromen-8-yl β-D-glucopyranoside
Registry Number Type Source
100204 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21650157 PubMed citation Europe PMC
Last Modified
03 December 2013