CHEBI:68138 - hydrangenol 4ʼ-O-β-D-glucopyranoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hydrangenol 4ʼ-O-β-D-glucopyranoside
ChEBI ID CHEBI:68138
ChEBI ASCII Name hydrangenol 4'-O-beta-D-glucopyranoside
Definition A member of the class of dihydroisocoumarins that is hydrangenol attached to a β-D-glucopyranosyl residue at position 4ʼ 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)28-12-6-4-10(5-7-12)14-8-11-2-1-3-13(23)16(11)20(27)29-14/h1-7,14-15,17-19,21-26H,8-9H2/t14?,15-,17-,18+,19-,21-/m1/s1
InChIKey VDDNWQMEDCJRQC-VRKGAULQSA-N
SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)C2Cc3cccc(O)c3C(=O)O2)[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): 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 4ʼ-O-β-D-glucopyranoside (CHEBI:68138) has functional parent hydrangenol (CHEBI:5776)
hydrangenol 4ʼ-O-β-D-glucopyranoside (CHEBI:68138) has role metabolite (CHEBI:25212)
hydrangenol 4ʼ-O-β-D-glucopyranoside (CHEBI:68138) has role plant metabolite (CHEBI:76924)
hydrangenol 4ʼ-O-β-D-glucopyranoside (CHEBI:68138) is a β-D-glucoside (CHEBI:22798)
hydrangenol 4ʼ-O-β-D-glucopyranoside (CHEBI:68138) is a dihydroisocoumarins (CHEBI:76546)
hydrangenol 4ʼ-O-β-D-glucopyranoside (CHEBI:68138) is a monosaccharide derivative (CHEBI:63367)
hydrangenol 4ʼ-O-β-D-glucopyranoside (CHEBI:68138) is a phenols (CHEBI:33853)
IUPAC Name
4-(8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)phenyl β-D-glucopyranoside
Registry Number Type Source
8364435 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21650157 PubMed citation Europe PMC
Last Modified
03 December 2013