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CHEBI:182857 - 5-[[4,5-dihydroxy-6-[(6E)-8-methoxy-3,7-dimethyl-8-oxoocta-1,6-dien-3-yl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

ChEBI IDCHEBI:182857
ChEBI Name5-[[4,5-dihydroxy-6-[(6E)-8-methoxy-3,7-dimethyl-8-oxoocta-1,6-dien-3-yl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O17
Net Charge0
Average Mass666.670
Monoisotopic Mass666.27350
SMILESC=CC(C)(CC/C=C(\C)C(=O)OC)OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C29H46O17/c1-6-29(4,9-7-8-14(2)25(39)41-5)46-27-23(38)21(36)24(45-26-22(37)20(35)19(34)15(12-30)43-26)16(44-27)13-42-18(33)11-28(3,40)10-17(31)32/h6,8,15-16,19-24,26-27,30,34-38,40H,1,7,9-13H2,2-5H3,(H,31,32)/b14-8+
InChIKeyNVTNFOILVVPXHM-RIYZIHGNSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[[4,5-dihydroxy-6-[(6E)-8-methoxy-3,7-dimethyl-8-oxoocta-1,6-dien-3-yl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid (CHEBI:182857) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
5-[[4,5-dihydroxy-6-[(6E)-8-methoxy-3,7-dimethyl-8-oxoocta-1,6-dien-3-yl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid