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3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid
SpectraBase Compound ID Hv9clH1tN6d
InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)
InChIKey JXOHGGNKMLTUBP-UHFFFAOYSA-N
Mol Weight 174.15 g/mol
Molecular Formula C7H10O5
Exact Mass 174.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IvSEFVM2oe
Name 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-
CAS Registry Number 138-59-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O5
InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)
InChIKey JXOHGGNKMLTUBP-UHFFFAOYSA-N
Molecular Weight 174.152 g/mol
SMILES OC1C=C(CC(C1O)O)C(=O)O
SPLASH splash10-03xs-9500000000-c3b7b3102544726e3dc7
Source of Spectrum F-52-14499-11
Synonyms 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, [3R-(3.alpha.,4.alpha.,5.beta.)]- 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid 3,4,5-trihydroxy-1-cyclohexenecarboxylic acid 3,4,5-trihydroxycyclohexene-1-carboxylic acid 3,4,5-tris(oxidanyl)cyclohexene-1-carboxylic acid Bracken fern toxic component Shikimate Shikimic acid Skikimic acid
Wiley ID 799676