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CHEBI:229012 - 3'-O-beta-Glucopyranosyl-stilbericoside

ChEBI IDCHEBI:229012
ChEBI Name3'-O-beta-Glucopyranosyl-stilbericoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O15
Net Charge0
Average Mass510.445
Monoisotopic Mass510.15847
SMILES[H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)OC=C[C@@]1(O)[C@H](O)[C@@H]1O[C@@H]12
InChIInChI=1S/C20H30O15/c21-3-5-8(23)10(25)11(26)18(31-5)34-14-9(24)6(4-22)32-19(12(14)27)35-17-7-13-15(33-13)16(28)20(7,29)1-2-30-17/h1-2,5-19,21-29H,3-4H2/t5-,6-,7+,8-,9-,10+,11-,12-,13-,14+,15-,16-,17+,18+,19+,20+/m1/s1
InChIKeyQTNLUBYCQZKKJF-IJCKHTGMSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
3'-O-beta-Glucopyranosyl-stilbericoside (CHEBI:229012) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[[(1R,2R,4S,5R,6S,10S)-5,6-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol