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CHEBI:200659 - F-10748 B1

Default Structure
ChEBI IDCHEBI:200659
ChEBI NameF-10748 B1
Stars
SubmitterMetaboLights
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FormulaC41H60O16
Net Charge0
Average Mass808.915
Monoisotopic Mass808.38814
SMILESCCCC(=O)OCC1OC(OC2C(CO)OC3(OCc4cc(O)cc(O)c43)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/C41H60O16/c1-5-13-31(46)52-22-30-34(48)35(49)36(50)40(54-30)56-37-29(20-42)57-41(33-25(21-53-41)18-26(43)19-28(33)45)39(51)38(37)55-32(47)17-12-8-11-16-27(44)24(4)15-10-7-9-14-23(3)6-2/h8-9,11-12,14,17-19,23-24,27,29-30,34-40,42-45,48-51H,5-7,10,13,15-16,20-22H2,1-4H3/b11-8+,14-9+,17-12+
InChIKeyWOVLPCZTNQXBBM-FNNNWGAZSA-N
ChEBI Ontology
Outgoing Relation(s)
F-10748 B1 (CHEBI:200659) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[5'-[6-(butanoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3',4,6-trihydroxy-6'-(hydroxymethyl)spiro[1H-2-benzouran-3,2'-oxane]-4'-yl] (2E,4E,12E)-7-hydroxy-8,14-dimethylhexadeca-2,4,12-trienoate
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