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CHEBI:168008 - 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxynonanoic acid

ChEBI IDCHEBI:168008
ChEBI Name2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxynonanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38O13
Net Charge0
Average Mass498.522
Monoisotopic Mass498.23124
SMILESCCCCCCC[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/C21H38O13/c1-2-3-4-5-6-7-10(19(29)30)32-21-18(28)16(26)14(24)12(34-21)9-31-20-17(27)15(25)13(23)11(8-22)33-20/h10-18,20-28H,2-9H2,1H3,(H,29,30)/t10-,11?,12?,13-,14-,15-,16-,17?,18?,20+,21+/m0/s1
InChIKeyMMMJHIANFCEHGC-VKIHGLMJSA-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-hydroxynonanoic acid (CHEBI:168008) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S)-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
Manual XrefsDatabases
LMFA13010046LIPID MAPS