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CHEBI:181092 - 2-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one

ChEBI IDCHEBI:181092
ChEBI Name2-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O8
Net Charge0
Average Mass288.252
Monoisotopic Mass288.08452
SMILESCc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1
InChIKeyYGSIRXHFAUFUEJ-GPTQDWHKSA-N
ChEBI Ontology
Outgoing Relation(s)
2-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one (CHEBI:181092) is a glycoside (CHEBI:24400)
IUPAC Name 
2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one
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4475643ChemSpider