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CHEBI:182061 - (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[3-hydroxy-3-(hydroxymethyl)-4-methylpentoxy]oxane-3,4,5-triol

ChEBI IDCHEBI:182061
ChEBI Name(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[3-hydroxy-3-(hydroxymethyl)-4-methylpentoxy]oxane-3,4,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H34O12
Net Charge0
Average Mass442.458
Monoisotopic Mass442.20503
SMILESCC(C)C(O)(CO)CCO[C@@H]1O[C@H](CO[C@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H34O12/c1-9(2)17(25,6-19)3-4-27-15-13(23)12(22)11(21)10(30-15)5-28-16-14(24)18(26,7-20)8-29-16/h9-16,19-26H,3-8H2,1-2H3/t10-,11-,12+,13-,14+,15-,16+,17?,18-/m1/s1
InChIKeyMHJYRHBCBPGGHL-IFTGIQGKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[3-hydroxy-3-(hydroxymethyl)-4-methylpentoxy]oxane-3,4,5-triol (CHEBI:182061) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[3-hydroxy-3-(hydroxymethyl)-4-methylpentoxy]oxane-3,4,5-triol
Manual XrefsDatabases
29814113ChemSpider