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(-)-Methyl 5-epi-shikimate

View entire compound with spectra: 1 MS (GC)

(-)-Methyl 5-epi-shikimate
SpectraBase Compound ID AMdotgckb9A
InChI InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6+,7-/m1/s1
InChIKey LSNUUAUXWJZSFD-DSYKOEDSSA-N
Mol Weight 188.18 g/mol
Molecular Formula C8H12O5
Exact Mass 188.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCEVfACuUtx
Name (-)-Methyl 5-epi-shikimate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O5
InChI InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6+,7-/m1/s1
InChIKey LSNUUAUXWJZSFD-DSYKOEDSSA-N
Molecular Weight 188.179 g/mol
SMILES O[C@@]1([C@@](C=C(C[C@@]1(O)[H])C(=O)OC)(O)[H])[H]
SPLASH splash10-05ow-9600000000-10dff572829cefaa4e8a
Source of Spectrum AT-38-5228-6
Synonyms (3R,4S,5S)-3,4,5-trihydroxy-1-cyclohexenecarboxylic acid methyl ester Methyl (3R,4S,5S)-3,4,5-trihydroxycyclohexene-1-carboxylate Methyl (3R,4S,5S)-3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate
Wiley ID 853943