KEGG   COMPOUND: C16481
Entry
C16481                      Compound                               

Name
6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
Formula
C7H7FO4
Exact mass
174.0328
Mol weight
174.1265
Structure
Reaction
Pathway
map00364  Fluorobenzoate degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.3.1.-         1.14.12.10
Other DBs
PubChem: 47205777
ChEBI: 80523
NIKKAJI: J2.802.687K
KCF data

ATOM        12
            1   C1z C    25.4454  -19.2457
            2   C1y C    26.6671  -19.9367
            3   C2y C    24.2362  -19.9367
            4   C6a C    25.5089  -17.8512
            5   C2x C    26.6671  -21.3439
            6   C2x C    24.2362  -21.3439
            7   O6a O    26.7177  -17.1603
            8   O6a O    24.2999  -17.1668
            9   C2x C    25.4454  -22.0603
            10  O1a O    26.6578  -18.5457
            11  O1a O    28.0671  -19.9367
            12  X   F    23.0192  -19.2302
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     6   9 1
            10    1  10 1 #Up
            11    2  11 1 #Up
            12    3  12 1

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