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CHEBI:175874 - Fagopyritol A2

ChEBI IDCHEBI:175874
ChEBI NameFagopyritol A2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O16
Net Charge0
Average Mass504.438
Monoisotopic Mass504.16903
SMILESOC[C@H]1O[C@H](OC[C@H]2O[C@H](OC3[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H32O16/c19-1-3-5(20)7(22)14(29)17(32-3)31-2-4-6(21)8(23)15(30)18(33-4)34-16-12(27)10(25)9(24)11(26)13(16)28/h3-30H,1-2H2/t3-,4-,5+,6+,7+,8+,9?,10+,11+,12-,13+,14-,15-,16?,17+,18-/m1/s1
InChIKeyMWNCPUNLDATDBW-ARZGVUSQSA-N
ChEBI Ontology
Outgoing Relation(s)
Fagopyritol A2 (CHEBI:175874) is a glycoside (CHEBI:24400)
IUPAC Name 
(1S,2S,4S,5R)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
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