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CHEBI:190870 - Sesamolinol 4'-O-b-D-glucosyl (1->6)-O-b-D-glucoside

ChEBI IDCHEBI:190870
ChEBI NameSesamolinol 4'-O-b-D-glucosyl (1->6)-O-b-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O17
Net Charge0
Average Mass696.655
Monoisotopic Mass696.22655
SMILES[H][C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@]1([H])CO[C@@H]2Oc1ccc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
InChIInChI=1S/C32H40O17/c1-40-19-7-14(46-30-16-10-41-29(15(16)9-42-30)13-2-4-17-20(6-13)45-12-44-17)3-5-18(19)47-32-28(39)26(37)24(35)22(49-32)11-43-31-27(38)25(36)23(34)21(8-33)48-31/h2-7,15-16,21-39H,8-12H2,1H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1
InChIKeyXTMLHNGHWHHERJ-FUPWJLLWSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Sesamolinol 4'-O-b-D-glucosyl (1->6)-O-b-D-glucoside (CHEBI:190870) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[4-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-yl]oxy]-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0029299HMDB
30776767ChemSpider