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CHEBI:91009 - 9,10-dimethoxypterocarpan-3-O-β-D-glucoside

ChEBI IDCHEBI:91009
ChEBI Name9,10-dimethoxypterocarpan-3-O-β-D-glucoside
Stars
ASCII Name9,10-dimethoxypterocarpan-3-O-beta-D-glucoside
DefinitionA member of the class of pterocarpans that is 3-hydroxy-9,10-dimethoxypterocarpan in which the phenol hydrogen is replaced by a β-D-glucosyl residue.
Last Modified25 January 2016
SubmitterSteve
DownloadsMolfile
FormulaC23H26O10
Net Charge0
Average Mass462.451
Monoisotopic Mass462.15260
SMILESCOc1ccc2c(c1OC)OC1c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3OCC21
InChIInChI=1S/C23H26O10/c1-28-14-6-5-11-13-9-30-15-7-10(3-4-12(15)20(13)33-21(11)22(14)29-2)31-23-19(27)18(26)17(25)16(8-24)32-23/h3-7,13,16-20,23-27H,8-9H2,1-2H3/t13?,16-,17-,18+,19-,20?,23-/m1/s1
InChIKeyPCIXSTFFMHVOMF-NFOIBEGASA-N
Species of MetaboliteComponentSourceComments
Astragalus mongholicus (ncbitaxon:119829)
- PubMed (25844502)
- MetaboLights (MTBLS189)
root (BTO:0001188) PubMed (15763368)
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)
9,10-dimethoxypterocarpan-3-O-β-D-glucoside (CHEBI:91009) has role plant metabolite (CHEBI:76924)
9,10-dimethoxypterocarpan-3-O-β-D-glucoside (CHEBI:91009) is a aromatic ether (CHEBI:35618)
9,10-dimethoxypterocarpan-3-O-β-D-glucoside (CHEBI:91009) is a monosaccharide derivative (CHEBI:63367)
9,10-dimethoxypterocarpan-3-O-β-D-glucoside (CHEBI:91009) is a pterocarpans (CHEBI:26377)
9,10-dimethoxypterocarpan-3-O-β-D-glucoside (CHEBI:91009) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
9,10-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran-3-yl β-D-glucopyranoside
Registry NumbersSources
Reaxys:27695500Reaxys
Citations