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CHEBI:213002 - F-10748 C1

ChEBI IDCHEBI:213002
ChEBI NameF-10748 C1
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SubmitterMetaboLights
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FormulaC42H62O16
Net Charge0
Average Mass822.942
Monoisotopic Mass822.40379
SMILESCCCCC(=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/C42H62O16/c1-5-7-17-32(47)53-23-31-35(49)36(50)37(51)41(55-31)57-38-30(21-43)58-42(34-26(22-54-42)19-27(44)20-29(34)46)40(52)39(38)56-33(48)18-13-9-12-16-28(45)25(4)15-11-8-10-14-24(3)6-2/h9-10,12-14,18-20,24-25,28,30-31,35-41,43-46,49-52H,5-8,11,15-17,21-23H2,1-4H3/b12-9+,14-10+,18-13+
InChIKeyNEVZJOGRXRMXIL-QITUDGKSSA-N
ChEBI Ontology
Outgoing Relation(s)
F-10748 C1 (CHEBI:213002) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[3,4,5-trihydroxy-6-(pentanoyloxymethyl)oxan-2-yl]oxyspiro[1H-2-benzouran-3,2'-oxane]-4'-yl] (2E,4E,12E)-7-hydroxy-8,14-dimethylhexadeca-2,4,12-trienoate
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