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CHEBI:131773 - tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 9''-O-β-D-glucopyranoside

ChEBI IDCHEBI:131773
ChEBI Nametricin 4'-O-(erythro-β-guaiacylglyceryl) ether 9''-O-β-D-glucopyranoside
Stars
ASCII Nametricin 4'-O-(erythro-beta-guaiacylglyceryl) ether 9''-O-beta-D-glucopyranoside
DefinitionA dihydroxyflavone that is tricin 4'-O-(erythro-β-guaiacylglyceryl) ether in which the hydroxy hydrogen at position 9'' has been replaced by a β-D-glucopyranosyl group.
Last Modified18 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC33H36O16
Net Charge0
Average Mass688.635
Monoisotopic Mass688.20034
SMILESCOc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O
InChIInChI=1S/C33H36O16/c1-43-21-6-14(4-5-17(21)36)28(39)26(13-46-33-31(42)30(41)29(40)25(12-34)49-33)48-32-23(44-2)7-15(8-24(32)45-3)20-11-19(38)27-18(37)9-16(35)10-22(27)47-20/h4-11,25-26,28-31,33-37,39-42H,12-13H2,1-3H3/t25-,26+,28-,29-,30+,31-,33-/m1/s1
InChIKeyWTKUHKWWAMSHEE-XBQYKTMKSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530)
seed (BTO:0001226) PubMed (26860358)
seed (BTO:0001226) MetaboLights (MTBLS287)
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)
tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 9''-O-β-D-glucopyranoside (CHEBI:131773) has functional parent (−)-(7R,8S)-guaiacylglycerol (CHEBI:67645)
tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 9''-O-β-D-glucopyranoside (CHEBI:131773) has functional parent 3',5'-di-O-methyltricetin (CHEBI:59979)
tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 9''-O-β-D-glucopyranoside (CHEBI:131773) has role plant metabolite (CHEBI:76924)
tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 9''-O-β-D-glucopyranoside (CHEBI:131773) is a dihydroxyflavone (CHEBI:38686)
tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 9''-O-β-D-glucopyranoside (CHEBI:131773) is a dimethoxyflavone (CHEBI:23798)
tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 9''-O-β-D-glucopyranoside (CHEBI:131773) is a monosaccharide derivative (CHEBI:63367)
tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 9''-O-β-D-glucopyranoside (CHEBI:131773) is a polyphenol (CHEBI:26195)
tricin 4'-O-(erythro-β-guaiacylglyceryl) ether 9''-O-β-D-glucopyranoside (CHEBI:131773) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(2S,3R)-2-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,6-dimethoxyphenoxy]-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl β-D-glucopyranoside
Registry NumbersSources
Reaxys:26681636Reaxys
Citations