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CHEBI:167939 - 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxynonanoic acid

ChEBI IDCHEBI:167939
ChEBI Name2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxynonanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38O14
Net Charge0
Average Mass514.521
Monoisotopic Mass514.22616
SMILESCCCCCC[C@@H](O)[C@H](O[C@@H]1OC(CO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)[C@H](O)C1O)C(=O)O
InChIInChI=1S/C21H38O14/c1-2-3-4-5-6-9(23)18(19(30)31)35-21-17(29)15(27)13(25)11(34-21)8-32-20-16(28)14(26)12(24)10(7-22)33-20/h9-18,20-29H,2-8H2,1H3,(H,30,31)/t9-,10?,11?,12+,13+,14+,15+,16?,17?,18+,20-,21+/m1/s1
InChIKeyWPSTUWWBZDHAAE-BRFXFVLPSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxynonanoic acid (CHEBI:167939) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3R)-3-hydroxy-2-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxynonanoic acid
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