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CHEBI:226121 - F-10748 A1

Default Structure
ChEBI IDCHEBI:226121
ChEBI NameF-10748 A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H54O15
Net Charge0
Average Mass738.824
Monoisotopic Mass738.34627
SMILESCCC(C)/C=C/CCCC(C)C(O)C/C=C/C=C/C(=O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1O
InChIInChI=1S/C37H54O15/c1-4-20(2)11-7-5-8-12-21(3)24(41)13-9-6-10-14-28(43)50-34-33(51-36-32(46)31(45)30(44)26(17-38)49-36)27(18-39)52-37(35(34)47)29-22(19-48-37)15-23(40)16-25(29)42/h6-7,9-11,14-16,20-21,24,26-27,30-36,38-42,44-47H,4-5,8,12-13,17-19H2,1-3H3/b9-6+,11-7+,14-10+
InChIKeyLTUSMYBYNGEWAQ-RGPXPUMBSA-N
ChEBI Ontology
Outgoing Relation(s)
F-10748 A1 (CHEBI:226121) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[3,4,5-trihydroxy-6-(hydroxymethyl)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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