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CHEBI:168052 - 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxyundecanoic acid

ChEBI IDCHEBI:168052
ChEBI Name2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxyundecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H42O14
Net Charge0
Average Mass542.575
Monoisotopic Mass542.25746
SMILESCCCCCCCC[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/C23H42O14/c1-2-3-4-5-6-7-8-11(25)20(21(32)33)37-23-19(31)17(29)15(27)13(36-23)10-34-22-18(30)16(28)14(26)12(9-24)35-22/h11-20,22-31H,2-10H2,1H3,(H,32,33)/t11-,12?,13?,14+,15+,16+,17+,18?,19?,20+,22-,23+/m1/s1
InChIKeyNKNRGTAHDBGTEI-DJBLQEKISA-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-dihydroxyundecanoic acid (CHEBI:168052) 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]oxyundecanoic acid
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