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:

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)
	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