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CHEBI:189126 - Matteucinol-7-O- [ 4",6"-di-O-galloyl ] -beta-D-glucopyranoside

ChEBI IDCHEBI:189126
ChEBI NameMatteucinol-7-O- [ 4",6"-di-O-galloyl ] -beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H36O18
Net Charge0
Average Mass780.688
Monoisotopic Mass780.19016
SMILESCOc1ccc([C@@H]2CC(=O)c3c(O)c(C)c(O[C@@H]4OC(COC(=O)c5cc(O)c(O)c(O)c5)[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](O)C4O)c(C)c3O2)cc1
InChIInChI=1S/C38H36O18/c1-14-28(44)27-20(39)12-25(16-4-6-19(51-3)7-5-16)53-34(27)15(2)33(14)56-38-32(48)31(47)35(55-37(50)18-10-23(42)30(46)24(43)11-18)26(54-38)13-52-36(49)17-8-21(40)29(45)22(41)9-17/h4-11,25-26,31-32,35,38,40-48H,12-13H2,1-3H3/t25-,26?,31+,32?,35+,38-/m0/s1
InChIKeyCABURBSWUISLOV-CTQGEOHISA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Matteucinol-7-O- [ 4",6"-di-O-galloyl ] -beta-D-glucopyranoside (CHEBI:189126) is a flavonoids (CHEBI:72544)
Matteucinol-7-O- [ 4",6"-di-O-galloyl ] -beta-D-glucopyranoside (CHEBI:189126) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4R,6S)-4,5-dihydroxy-6-[[(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
LMPK12140331LIPID MAPS
24846414ChemSpider