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CHEBI:204931 - 6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-3-(hydroxymethyl)isochromen-1-one

ChEBI IDCHEBI:204931
ChEBI Name6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-3-(hydroxymethyl)isochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O10
Net Charge0
Average Mass384.337
Monoisotopic Mass384.10565
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](Oc2cc(O)c3c(=O)oc(CO)cc3c2)O[C@@H]1CO
InChIInChI=1S/C17H20O10/c1-24-15-11(6-19)27-17(14(22)13(15)21)26-8-2-7-3-9(5-18)25-16(23)12(7)10(20)4-8/h2-4,11,13-15,17-22H,5-6H2,1H3/t11-,13-,14-,15-,17-/m1/s1
InChIKeyZPILZKHQFORBSS-WDGOXLLCSA-N
Species of MetaboliteComponentSourceComments
Torrubiella (ncbitaxon:153665) - PubMed (19456117)
ChEBI Ontology
Outgoing Relation(s)
6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-3-(hydroxymethyl)isochromen-1-one (CHEBI:204931) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-3-(hydroxymethyl)isochromen-1-one
Manual XrefsDatabases
24624841ChemSpider