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CHEBI:181750 - [(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 7-methyloctanoate

ChEBI IDCHEBI:181750
ChEBI Name[(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 7-methyloctanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38O12
Net Charge0
Average Mass482.523
Monoisotopic Mass482.23633
SMILESCC(C)CCCCCC(=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/C21H38O12/c1-10(2)6-4-3-5-7-13(23)30-9-12-15(25)17(27)19(29)21(32-12)33-20-18(28)16(26)14(24)11(8-22)31-20/h10-12,14-22,24-29H,3-9H2,1-2H3/t11-,12-,14-,15-,16+,17+,18-,19-,20-,21-/m1/s1
InChIKeyMGQMHWZXSBFPMH-PEQRZCQJSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 7-methyloctanoate (CHEBI:181750) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 7-methyloctanoate
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