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

ChEBI IDCHEBI:68124
ChEBI Name3S-hydrangenol 4'-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside
Stars
ASCII Name3S-hydrangenol 4'-O-alpha-L-rhamnopyranoysl-(1->3)-beta-D-glucopyranoside
DefinitionA 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 4' via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica.
Last Modified3 December 2013
DownloadsMolfile
FormulaC27H32O13
Net Charge0
Average Mass564.540
Monoisotopic Mass564.18429
SMILES[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](Oc3ccc([C@@H]4Cc5cccc(O)c5C(=O)O4)cc3)O[C@H](CO)[C@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyKAWWUODRABPWGU-YNZOJGRDSA-N
Species of MetaboliteComponentSourceComments
Scorzonera judaica (ncbitaxon:895824-1) tuberous root (BTO:0001309) PubMed (21650157) Dried powdered roots
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
3S-hydrangenol 4'-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) has functional parent hydrangenol (CHEBI:5776)
3S-hydrangenol 4'-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) has role metabolite (CHEBI:25212)
3S-hydrangenol 4'-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) has role plant metabolite (CHEBI:76924)
3S-hydrangenol 4'-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) is a dihydroisocoumarins (CHEBI:76546)
3S-hydrangenol 4'-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside (CHEBI:68124) is a disaccharide derivative (CHEBI:63353)
3S-hydrangenol 4'-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 NumbersSources
Reaxys:21646965Reaxys
Citations