KEGG   COMPOUND: C16479
Entry
C16479                      Compound                               
Name
5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
Formula
C7H7FO4
Exact mass
174.0328
Mol weight
174.13
Structure
Reaction
R08109 R08112
Pathway
map00364  Fluorobenzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.3.1.25        1.14.12.10
Other DBs
PubChem: 47205775
ChEBI: 80521
NIKKAJI: J2.802.675G
LinkDB
KCF data

ATOM        12
            1   C1z C    25.4454  -19.2457
            2   C2x C    26.6671  -19.9367
            3   C1y C    24.2362  -19.9367
            4   C6a C    25.5089  -17.8512
            5   C2y 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  X   F    27.8867  -22.0425
            11  O1a O    22.8839  -19.5743
            12  O1a O    24.2330  -18.5457
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     6   9 2
            10    5  10 1
            11    3  11 1 #Up
            12    1  12 1 #Up

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