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CHEBI:185873 - Butyl 4'-O-hexadecanoyl-neohesperidoside

ChEBI IDCHEBI:185873
ChEBI NameButyl 4'-O-hexadecanoyl-neohesperidoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H60O11
Net Charge0
Average Mass620.821
Monoisotopic Mass620.41356
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H]1C(C)O[C@@H](OC2[C@H](OCCCC)OC(CO)[C@@H](O)[C@@H]2O)C(O)[C@H]1O
InChIInChI=1S/C32H60O11/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-24(34)42-29-22(3)40-31(28(38)27(29)37)43-30-26(36)25(35)23(21-33)41-32(30)39-20-7-5-2/h22-23,25-33,35-38H,4-21H2,1-3H3/t22?,23?,25-,26+,27-,28?,29+,30?,31+,32-/m1/s1
InChIKeyGSHHCUYNHSPHDT-YYGLJWJKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Butyl 4'-O-hexadecanoyl-neohesperidoside (CHEBI:185873) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
[(3R,4R,6S)-6-[(2R,4S,5S)-2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] hexadecanoate
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LMSL05000004LIPID MAPS