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CHEBI:229079 - Cistanoside G

ChEBI IDCHEBI:229079
ChEBI NameCistanoside G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O11
Net Charge0
Average Mass446.449
Monoisotopic Mass446.17881
SMILESC[C@@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C20H30O11/c1-9-13(23)18(31-20-16(26)15(25)14(24)12(8-21)30-20)17(27)19(29-9)28-7-6-10-2-4-11(22)5-3-10/h2-5,9,12-27H,6-8H2,1H3/t9-,12+,13+,14+,15-,16+,17+,18+,19+,20-/m0/s1
InChIKeyPUNXDBIVFUQAAC-FYQUPJIJSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Cistanoside G (CHEBI:229079) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-3,5-dihydroxy-2-[2-(4-hydroxyphenyl)ethoxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol