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(1S,5R,6R)-5,6-Dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl furan-2-carboxylate
SpectraBase Compound ID HwseT5BD6qk
InChI InChI=1S/C12H12O7/c13-5-6-4-7(14)10(16)11(9(6)15)19-12(17)8-2-1-3-18-8/h1-4,7,10-11,13-14,16H,5H2/t7-,10-,11-/m1/s1
InChIKey IUPQIDXKBSJTMR-AVPPRXQKSA-N
Mol Weight 268.22 g/mol
Molecular Formula C12H12O7
Exact Mass 268.058303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fNF5Lj1oN8
Name (1S,5R,6R)-5,6-Dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl furan-2-carboxylate
Alternate Name(s) Epoxydine B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O7
InChI InChI=1S/C12H12O7/c13-5-6-4-7(14)10(16)11(9(6)15)19-12(17)8-2-1-3-18-8/h1-4,7,10-11,13-14,16H,5H2/t7-,10-,11-/m1/s1
InChIKey IUPQIDXKBSJTMR-AVPPRXQKSA-N
Literature Reference DOI 10.1002/hlca.200900199
Molecular Weight 268.221 g/mol
SMILES O[C@]1([C@@](C(C(=C[C@]1(O)[H])CO)=O)(OC(=O)c1occc1)[H])[H]
SPLASH splash10-014m-9200000000-98488a048bef79e2c241
Source of Spectrum H-93-173-2
Wiley ID 1785788