hydrangenol 4'-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside (CHEBI:68134)

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CHEBI:68134 - hydrangenol 4'-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside

ChEBI ID	CHEBI:68134
ChEBI Name	hydrangenol 4'-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside
Stars
ASCII Name	hydrangenol 4'-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
Definition	A member of the class of dihydroisocoumarins that is hydrangenol attached to a β-D-apiofuranosyl-(1→6)-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	C26H30O13
Net Charge	0
Average Mass	550.513
Monoisotopic Mass	550.16864
SMILES	O=C1OC(c2ccc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2)Cc2cccc(O)c21
InChI	InChI=1S/C26H30O13/c27-10-26(34)11-36-25(22(26)32)35-9-17-19(29)20(30)21(31)24(39-17)37-14-6-4-12(5-7-14)16-8-13-2-1-3-15(28)18(13)23(33)38-16/h1-7,16-17,19-22,24-25,27-32,34H,8-11H2/t16?,17-,19-,20+,21-,22+,24-,25-,26-/m1/s1
InChIKey	NCBLEDBCMRNNAV-NFZGRANLSA-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)
	hydrangenol 4'-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside (CHEBI:68134) has functional parent hydrangenol (CHEBI:5776)
	hydrangenol 4'-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside (CHEBI:68134) has role metabolite (CHEBI:25212)
	hydrangenol 4'-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside (CHEBI:68134) has role plant metabolite (CHEBI:76924)
	hydrangenol 4'-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside (CHEBI:68134) is a dihydroisocoumarins (CHEBI:76546)
	hydrangenol 4'-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside (CHEBI:68134) is a disaccharide derivative (CHEBI:63353)
	hydrangenol 4'-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside (CHEBI:68134) is a phenols (CHEBI:33853)

IUPAC Name
4-(8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)phenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-β-D-glucopyranoside

Registry Numbers	Sources
Reaxys:21646964	Reaxys

Citations