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3-[(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)amino]benzoic acid
SpectraBase Compound ID 3gQCpbMyfIr
InChI InChI=1S/C12H15NO6/c14-5-8-9(15)10(16)11(19-8)13-7-3-1-2-6(4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)/t8-,9-,10+,11+/m1/s1
InChIKey FMHXQQUWOIWYSH-ZNSHCXBVSA-N
Mol Weight 269.25 g/mol
Molecular Formula C12H15NO6
Exact Mass 269.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhET9REf20R
Name 3-[(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)amino]benzoic acid
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Formula C12H15NO6
InChI InChI=1S/C12H15NO6/c14-5-8-9(15)10(16)11(19-8)13-7-3-1-2-6(4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)/t8-,9-,10+,11+/m1/s1
InChIKey FMHXQQUWOIWYSH-ZNSHCXBVSA-N
Molecular Weight 269.253 g/mol
SMILES O[C@]1([C@@]([C@](O[C@@]1(CO)[H])(Nc1cc(C(=O)O)ccc1)[H])(O)[H])[H]
SPLASH splash10-014r-7910000000-952ba5bd051f7ef5f228
Synonyms 3-[[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]amino]benzoic acid 3-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]benzoic acid 3-[[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]amino]benzoic acid
Wiley ID 1452000