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CHEBI:198780 - F-10748 C2

ChEBI IDCHEBI:198780
ChEBI NameF-10748 C2
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FormulaC42H64O16
Net Charge0
Average Mass824.958
Monoisotopic Mass824.41944
SMILESCCCCC(=O)OCC1OC(OC2C(CO)OC(c3c(O)cc(O)cc3CO)C(O)C2OC(=O)/C=C/C=C/CC(O)C(C)CCC/C=C/C(C)CC)C(O)C(O)C1O
InChIInChI=1S/C42H64O16/c1-5-7-17-32(48)54-23-31-35(50)36(51)37(52)42(56-31)58-39-30(22-44)55-40(34-26(21-43)19-27(45)20-29(34)47)38(53)41(39)57-33(49)18-13-9-12-16-28(46)25(4)15-11-8-10-14-24(3)6-2/h9-10,12-14,18-20,24-25,28,30-31,35-47,50-53H,5-8,11,15-17,21-23H2,1-4H3/b12-9+,14-10+,18-13+
InChIKeyDOUCVPKCQVKZTF-QITUDGKSSA-N
ChEBI Ontology
Outgoing Relation(s)
F-10748 C2 (CHEBI:198780) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(pentanoyloxymethyl)oxan-2-yl]oxyoxan-4-yl] (2E,4E,12E)-7-hydroxy-8,14-dimethylhexadeca-2,4,12-trienoate
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