(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-beta-D-glucopyranoside (CHEBI:86334)

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CHEBI:86334 - (3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-β-D-glucopyranoside

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ChEBI ID	CHEBI:86334
ChEBI Name	(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-β-D-glucopyranoside
Stars
ASCII Name	(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-beta-D-glucopyranoside
Definition	A monosaccharide derivative that is (R)-isoflavan substituted by a hydroxy group substituted at position 2', methoxy groups at positions 3' and 4' and a β-D-glucopyranosyloxy group at position 7 respectively.
Last Modified	22 January 2016
Submitter	namrata
Downloads	Molfile

Formula	C23H28O10
Net Charge	0
Average Mass	464.467
Monoisotopic Mass	464.16825
SMILES	COc1ccc([C@@H]2COc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3C2)c(O)c1OC
InChI	InChI=1S/C23H28O10/c1-29-15-6-5-14(18(25)22(15)30-2)12-7-11-3-4-13(8-16(11)31-10-12)32-23-21(28)20(27)19(26)17(9-24)33-23/h3-6,8,12,17,19-21,23-28H,7,9-10H2,1-2H3/t12-,17+,19+,20-,21+,23+/m0/s1
InChIKey	SXHOGLPTLQBGDO-ZVSSUSCDSA-N

Species of Metabolite	Component	Source	Comments
Astragalus mongholicus (ncbitaxon:119829)
	-	PubMed (25844502)
	-	MetaboLights (MTBLS189)

Roles Classification

Biological Role:

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)
	(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-β-D-glucopyranoside (CHEBI:86334) has parent hydride (R)-isoflavan (CHEBI:36101)
	(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-β-D-glucopyranoside (CHEBI:86334) has role plant metabolite (CHEBI:76924)
	(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-β-D-glucopyranoside (CHEBI:86334) is a hydroxyisoflavans (CHEBI:76250)
	(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-β-D-glucopyranoside (CHEBI:86334) is a methoxyisoflavan (CHEBI:77002)
	(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-β-D-glucopyranoside (CHEBI:86334) is a monosaccharide derivative (CHEBI:63367)
	(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-β-D-glucopyranoside (CHEBI:86334) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
(3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl β-D-glucopyranoside

Synonym	Source
isomucronulatol 7-O-β-D-glucoside	ChEBI

Registry Numbers	Sources
Reaxys:20966873	Reaxys

Citations