CHEBI:80521 - 5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate

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ChEBI Name 5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
ChEBI ID CHEBI:80521
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C7H7FO4
Net Charge 0
Average Mass 174.12650
Monoisotopic Mass 174.03284
InChI InChI=1S/C7H7FO4/c8-4-1-2-5(9)7(12,3-4)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m1/s1
InChIKey SFLUOXSDNSKORB-VDTYLAMSSA-N
SMILES O[C@@H]1C=CC(F)=C[C@@]1(O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (CHEBI:80521) is a 3-hydroxy carboxylic acid (CHEBI:61355)
5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (CHEBI:80521) is a cyclohexadienecarboxylic acid (CHEBI:23468)
5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate (CHEBI:80521) is a cyclohexadienediol (CHEBI:23469)
Manual Xref Database
C16479 KEGG COMPOUND
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Last Modified
04 April 2019