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CHEBI:184183 - Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside

ChEBI IDCHEBI:184183
ChEBI NameButyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H66O12
Net Charge0
Average Mass690.912
Monoisotopic Mass690.45543
SMILESCCCCCCCCCCCCCCCC(=O)OCC1O[C@@H](OCCCC)C(O[C@@H]2OC(C)[C@H](OC(=O)CCC)[C@H](O)C2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C36H66O12/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-22-27(37)44-24-26-29(39)30(40)34(36(46-26)43-23-9-6-2)48-35-32(42)31(41)33(25(4)45-35)47-28(38)21-7-3/h25-26,29-36,39-42H,5-24H2,1-4H3/t25?,26?,29-,30+,31-,32?,33+,34?,35+,36-/m1/s1
InChIKeyLIKCIOINGHXXRQ-GGZXGTRISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside (CHEBI:184183) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(3S,4S,6R)-5-[(2S,4R,5R)-5-butanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-butoxy-3,4-dihydroxyoxan-2-yl]methyl hexadecanoate
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