3S-hydrangenol 4'-O-alpha-L-rhamnopyranoysl-(1->3)-beta-D-glucopyranoside (CHEBI:68124)

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

ChEBI ID	CHEBI:68124
ChEBI Name	3S-hydrangenol 4'-O-α-L-rhamnopyranoysl-(1→3)-β-D-glucopyranoside
Stars
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 4' via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica.
Last Modified	3 December 2013
Downloads	Molfile

Formula	C27H32O13
Net Charge	0
Average Mass	564.540
Monoisotopic Mass	564.18429
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
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

Species of Metabolite	Component	Source	Comments
Scorzonera judaica (ncbitaxon:895824-1)	tuberous root (BTO:0001309)	PubMed (21650157)	Dried powdered roots

Roles Classification

Biological Roles:

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.

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 Numbers	Sources
Reaxys:21646965	Reaxys

Citations