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Americanoic acid A Methyl Ester
SpectraBase Compound ID Jb9RJ3huHlF
InChI InChI=1S/C17H16O7/c1-22-17(21)10-3-5-13-14(7-10)23-15(8-18)16(24-13)9-2-4-11(19)12(20)6-9/h2-7,15-16,18-20H,8H2,1H3/t15-,16-/m0/s1
InChIKey SMXSVGZXCWSPEI-HOTGVXAUSA-N
Mol Weight 332.31 g/mol
Molecular Formula C17H16O7
Exact Mass 332.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtSnWR1vyig
Name Americanoic acid A Methyl Ester
Alternate Name(s) (2S,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-carboxylic acid methyl ester Methyl (2S,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxylate Methyl (2S,3S)-2-[3,4-bis(oxidanyl)phenyl]-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxylate
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Formula C17H16O7
InChI InChI=1S/C17H16O7/c1-22-17(21)10-3-5-13-14(7-10)23-15(8-18)16(24-13)9-2-4-11(19)12(20)6-9/h2-7,15-16,18-20H,8H2,1H3/t15-,16-/m0/s1
InChIKey SMXSVGZXCWSPEI-HOTGVXAUSA-N
Molecular Weight 332.308 g/mol
SMILES OC[C@@]1(Oc2c(O[C@]1(c1ccc(c(c1)O)O)[H])ccc(c2)C(=O)OC)[H]
SPLASH splash10-001i-0409000000-1c67582d0df2d721a7da
Source of Spectrum E2-51-1380-1
Wiley ID 1556326