KEGG   COMPOUND: C16478
Entry
C16478                      Compound                               

Name
3-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
Enzyme
1.3.1.25        1.14.12.10
Other DBs
PubChem: 47205774
ChEBI: 80520
NIKKAJI: J2.802.674I
KCF data

ATOM        12
            1   C1z C    25.5152  -19.2456
            2   C1y C    26.7369  -19.9365
            3   C2x C    24.3060  -19.9365
            4   C6a C    25.5787  -17.8511
            5   C2y C    26.7369  -21.3437
            6   C2x C    24.3060  -21.3437
            7   O6a O    26.7875  -17.1602
            8   O6a O    24.3697  -17.1667
            9   C2x C    25.5152  -22.0601
            10  X   F    27.9395  -22.0408
            11  O1a O    26.7276  -18.5456
            12  O1a O    28.1369  -19.9365
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     5  10 1
            10    6   9 1
            11    1  11 1 #Up
            12    2  12 1 #Up

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