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CHEBI:228967 - 2'-(o,m-Dihydroxybenzyl) sweroside

ChEBI IDCHEBI:228967
ChEBI Name2'-(o,m-Dihydroxybenzyl) sweroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O12
Net Charge0
Average Mass494.449
Monoisotopic Mass494.14243
SMILES[H][C@@]12CCOC(=O)C1=COC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1cccc(O)c1O)[C@@H]2C=C
InChIInChI=1S/C23H26O12/c1-2-10-11-6-7-31-20(29)13(11)9-32-22(10)35-23-19(18(28)17(27)15(8-24)33-23)34-21(30)12-4-3-5-14(25)16(12)26/h2-5,9-11,15,17-19,22-28H,1,6-8H2/t10-,11+,15-,17-,18+,19-,22?,23+/m1/s1
InChIKeyXJKQETQKNZJWIM-PNMBRCNXSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
2'-(o,m-Dihydroxybenzyl) sweroside (CHEBI:228967) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,4S,5S,6R)-2-[[(4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,3-dihydroxybenzoate
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4884640ChemSpider