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CHEBI:168255 - 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxyundecanoic acid

ChEBI IDCHEBI:168255
ChEBI Name2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxyundecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H42O13
Net Charge0
Average Mass526.576
Monoisotopic Mass526.26254
SMILESCCCCCCCCC[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/C23H42O13/c1-2-3-4-5-6-7-8-9-12(21(31)32)34-23-20(30)18(28)16(26)14(36-23)11-33-22-19(29)17(27)15(25)13(10-24)35-22/h12-20,22-30H,2-11H2,1H3,(H,31,32)/t12-,13?,14?,15-,16-,17-,18-,19?,20?,22+,23+/m0/s1
InChIKeyLMSCLROPNINDDT-QMWBOEPYSA-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-hydroxyundecanoic acid (CHEBI:168255) 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]oxyundecanoic acid
Manual XrefsDatabases
LMFA13010047LIPID MAPS