KEGG   COMPOUND: C16478Help
Entry
C16478                      Compound                               

Name
3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
Formula
C7H7FO4
Exact mass
174.0328
Mol weight
174.1265
Structure
Mol fileKCF fileDB search
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 Show

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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