CHEBI:68124 - 3S-hydrangenol 4ʼ-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside

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ChEBI Name 3S-hydrangenol 4ʼ-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside
ChEBI ID CHEBI:68124
ChEBI ASCII Name 3S-hydrangenol 4'-O-alpha-L-rhamnopyranoysl-(1->3)-beta-D-glucopyranoside
Definition A member of the class of dihydroisocoumarins that is hydrangenol attached to a 3-O-(6-deoxy-α-L-mannopyranosyl)-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
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Formula C27H32O13
Net Charge 0
Average Mass 564.53520
Monoisotopic Mass 564.18429
InChI InChI=1S/C27H32O13/c1-11-19(30)21(32)22(33)26(36-11)40-24-20(31)17(10-28)39-27(23(24)34)37-14-7-5-12(6-8-14)16-9-13-3-2-4-15(29)18(13)25(35)38-16/h2-8,11,16-17,19-24,26-34H,9-10H2,1H3/t11-,16-,17+,19-,20+,21+,22+,23+,24-,26-,27+/m0/s1
InChIKey KAWWUODRABPWGU-YNZOJGRDSA-N
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](Oc3ccc(cc3)[C@@H]3Cc4cccc(O)c4C(=O)O3)[C@@H]2O)[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.
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 3S-hydrangenol 4ʼ-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) has functional parent hydrangenol (CHEBI:5776)
3S-hydrangenol 4ʼ-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) has role metabolite (CHEBI:25212)
3S-hydrangenol 4ʼ-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) has role plant metabolite (CHEBI:76924)
3S-hydrangenol 4ʼ-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) is a dihydroisocoumarins (CHEBI:76546)
3S-hydrangenol 4ʼ-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) is a disaccharide derivative (CHEBI:63353)
3S-hydrangenol 4ʼ-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) is a phenols (CHEBI:33853)
IUPAC Name
4-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]phenyl 3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Registry Number Type Source
21646965 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21650157 PubMed citation Europe PMC
Last Modified
03 December 2013