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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > 3-fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > cyclohexadienecarboxylic acid > 3-fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

Preferred term

3-fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C7H7FO4

inchi

  • InChI=1S/C7H7FO4/c8-4-2-1-3-7(12,5(4)9)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m0/s1

inchikey

  • QDUOLNJDJPSHJC-CAHLUQPWSA-N

mass

  • 174.12650

monoisotopicmass

  • 174.03284

smiles

  • O[C@H]1C(F)=CC=C[C@]1(O)C(O)=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80520

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