CHEBI:68129 - hydrangeic acid 4ʼ-O-β-D-glucopyranoside

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ChEBI Name hydrangeic acid 4ʼ-O-β-D-glucopyranoside
ChEBI ID CHEBI:68129
ChEBI ASCII Name hydrangeic acid 4'-O-beta-D-glucopyranoside
Definition A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 6 and a 2-phenylethenyl group at position 2 which in turn is attached to a β-D-glucopyranosyloxy group at position 4. 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/c22-10-15-17(24)18(25)19(26)21(30-15)29-13-8-5-11(6-9-13)4-7-12-2-1-3-14(23)16(12)20(27)28/h1-9,15,17-19,21-26H,10H2,(H,27,28)/b7-4+/t15-,17-,18+,19-,21-/m1/s1
InChIKey NHIDPRPJJPJNAB-PQMYGHKGSA-N
SMILES OC[C@H]1O[C@@H](Oc2ccc(\C=C\c3cccc(O)c3C(O)=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 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hydrangeic acid 4ʼ-O-β-D-glucopyranoside (CHEBI:68129) has role metabolite (CHEBI:25212)
hydrangeic acid 4ʼ-O-β-D-glucopyranoside (CHEBI:68129) has role plant metabolite (CHEBI:76924)
hydrangeic acid 4ʼ-O-β-D-glucopyranoside (CHEBI:68129) is a β-D-glucoside (CHEBI:22798)
hydrangeic acid 4ʼ-O-β-D-glucopyranoside (CHEBI:68129) is a monohydroxybenzoic acid (CHEBI:25389)
hydrangeic acid 4ʼ-O-β-D-glucopyranoside (CHEBI:68129) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
2-{(E)-2-[4-(β-D-glucopyranosyloxy)phenyl]ethenyl}-6-hydroxybenzoic acid
Registry Number Type Source
21646961 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21650157 PubMed citation Europe PMC
Last Modified
03 December 2013