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4-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-benzoic acid
SpectraBase Compound ID GMqb8zhcYoP
InChI InChI=1S/C13H17NO7/c15-5-8-9(16)10(17)11(18)12(21-8)14-7-3-1-6(2-4-7)13(19)20/h1-4,8-12,14-18H,5H2,(H,19,20)/t8-,9-,10+,11-,12?/m1/s1
InChIKey VXMVXDITZWJXJN-OZRWLHRGSA-N
Mol Weight 299.28 g/mol
Molecular Formula C13H17NO7
Exact Mass 299.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqHP2PEkS6x
Name 4-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-benzoic acid
Alternate Name(s) 4-[(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)amino]benzoic acid 4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]amino]benzoic acid 4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoic acid 4-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]benzoic acid N-(4-carboxyphenyl)hexopyranosylamine
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Formula C13H17NO7
InChI InChI=1S/C13H17NO7/c15-5-8-9(16)10(17)11(18)12(21-8)14-7-3-1-6(2-4-7)13(19)20/h1-4,8-12,14-18H,5H2,(H,19,20)/t8-,9-,10+,11-,12?/m1/s1
InChIKey VXMVXDITZWJXJN-OZRWLHRGSA-N
Molecular Weight 299.279 g/mol
SMILES O[C@@]1([C@](C(O[C@@]([C@]1(O)[H])(CO)[H])Nc1ccc(C(=O)O)cc1)(O)[H])[H]
SPLASH splash10-0uka-1930000000-13a81ddea575b8a10714
Wiley ID 1453421