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7-Methylthio-5.beta.,D-xylopyranosylaminopyrrolo[3,4-c]pyridin-(2H)-1,3-dione
SpectraBase Compound ID BpznVLhdTav
InChI InChI=1S/C13H15N3O6S/c1-23-13-7-4(10(20)16-11(7)21)2-6(15-13)14-12-9(19)8(18)5(17)3-22-12/h2,5,8-9,12,17-19H,3H2,1H3,(H,14,15)(H,16,20,21)/t5-,8+,9-,12-/m1/s1
InChIKey BTDJISLRLRDOFD-CEEXSVCUSA-N
Mol Weight 341.34 g/mol
Molecular Formula C13H15N3O6S
Exact Mass 341.068156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cy1Lh39cu1W
Name 7-Methylthio-5.beta.,D-xylopyranosylaminopyrrolo[3,4-c]pyridin-(2H)-1,3-dione
Alternate Name(s) 7-Methylthio-5.beta.,D-xylopyranosylaminopyrrolo[3,4-c]pyridin-1(3H)-dione N-[4-(methylsulfanyl)-1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl]pentopyranosylamine
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Formula C13H15N3O6S
InChI InChI=1S/C13H15N3O6S/c1-23-13-7-4(10(20)16-11(7)21)2-6(15-13)14-12-9(19)8(18)5(17)3-22-12/h2,5,8-9,12,17-19H,3H2,1H3,(H,14,15)(H,16,20,21)/t5-,8+,9-,12-/m1/s1
InChIKey BTDJISLRLRDOFD-CEEXSVCUSA-N
Molecular Weight 341.338 g/mol
SMILES N1C(c2c(c(nc(c2)N[C@]2([C@@]([C@]([C@@](CO2)(O)[H])(O)[H])(O)[H])[H])SC)C1=O)=O
SPLASH splash10-00di-3090000000-1c2cb4864eb4865244e5
Source of Spectrum F-53-8233-2
Wiley ID 802437