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1-DEOXYALLONOJIRIMYCIN
SpectraBase Compound ID EhmPr1LdsUs
InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6+/m1/s1
InChIKey LXBIFEVIBLOUGU-MOJAZDJTSA-N
Mol Weight 163.17 g/mol
Molecular Formula C6H13NO4
Exact Mass 163.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0KJ10vQVIH
Name 1,5-Dideoxy-1,5-imino-D-allitol
Comments Less than 3 mono-isotopic peaks
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Formula C6H13NO4
InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6+/m1/s1
InChIKey LXBIFEVIBLOUGU-MOJAZDJTSA-N
Molecular Weight 163.173 g/mol
SMILES O[C@@]1([C@@]([C@@]([C@](NC1)(CO)[H])(O)[H])(O)[H])[H]
SPLASH splash10-001i-0900000000-fe42224bc25b26ee736a
Source of Spectrum E1-37-3705-3
Synonyms (3R,4S,5S)-2-(hydroxymethyl)-3,4,5-piperidinetriol
Wiley ID 1575300