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CHEBI:182907 - 4-(Butan-2-yl)phenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

ChEBI IDCHEBI:182907
ChEBI Name4-(Butan-2-yl)phenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27NO6
Net Charge0
Average Mass353.415
Monoisotopic Mass353.18384
SMILESCCC(C)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1
InChIInChI=1S/C18H27NO6/c1-4-10(2)12-5-7-13(8-6-12)24-18-15(19-11(3)21)17(23)16(22)14(9-20)25-18/h5-8,10,14-18,20,22-23H,4,9H2,1-3H3,(H,19,21)/t10?,14-,15-,16-,17-,18-/m1/s1
InChIKeyNZLBBWKRFWAHOK-NTCFCCFRSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(Butan-2-yl)phenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside (CHEBI:182907) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
N-[(2S,3R,4R,5S,6R)-2-(4-butan-2-ylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
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