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CHEBI:182877 - [(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 9-methyldecanoate

ChEBI IDCHEBI:182877
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 9-methyldecanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H42O12
Net Charge0
Average Mass510.577
Monoisotopic Mass510.26763
SMILESCC(C)CCCCCCCC(=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/C23H42O12/c1-12(2)8-6-4-3-5-7-9-15(25)32-11-14-17(27)19(29)21(31)23(34-14)35-22-20(30)18(28)16(26)13(10-24)33-22/h12-14,16-24,26-31H,3-11H2,1-2H3/t13-,14-,16-,17-,18+,19+,20-,21-,22+,23+/m1/s1
InChIKeyVTEOBBGFBSSFNH-HIUXYCDVSA-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 9-methyldecanoate (CHEBI:182877) 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 9-methyldecanoate
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