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CHEBI:182925 - [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate

ChEBI IDCHEBI:182925
ChEBI Name[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H40O12
Net Charge0
Average Mass496.550
Monoisotopic Mass496.25198
SMILESCC(C)CCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H40O12/c1-11(2)7-5-3-4-6-8-14(24)31-10-13-16(26)18(28)20(30)22(33-13)34-21-19(29)17(27)15(25)12(9-23)32-21/h11-13,15-23,25-30H,3-10H2,1-2H3/t12-,13-,15-,16-,17+,18+,19-,20-,21+,22+/m1/s1
InChIKeyQEGXBXBKQLQOHP-HSZKHKTISA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate (CHEBI:182925) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 8-methylnonanoate
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29814847ChemSpider