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CHEBI:181912 - (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

ChEBI IDCHEBI:181912
ChEBI Name(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H38O12
Net Charge0
Average Mass470.512
Monoisotopic Mass470.23633
SMILESCC(C)CCC(O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H38O12/c1-9(2)3-4-10(23)5-6-29-20-18(16(27)14(25)12(8-22)31-20)32-19-17(28)15(26)13(24)11(7-21)30-19/h9-28H,3-8H2,1-2H3/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19+,20-/m1/s1
InChIKeyOCLJUQSRRLIINU-CBMLQZBESA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:181912) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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