KEGG   COMPOUND: C16480
Entry
C16480                      Compound                               
Name
4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate
Formula
C7H7FO4
Exact mass
174.0328
Mol weight
174.13
Structure
Reaction
R08110 R08113
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: 47205776
ChEBI: 80522
NIKKAJI: J2.802.686B
LinkDB
KCF data

ATOM        12
            1   C1z C    25.4100  -18.5500
            2   C1y C    26.6700  -19.2500
            3   C2x C    24.2200  -19.2500
            4   C6a C    25.4100  -17.1500
            5   C2x C    26.6700  -20.6500
            6   C2x C    24.2200  -20.6500
            7   O6a O    26.6700  -16.4500
            8   O6a O    24.2900  -16.4500
            9   C2y C    25.4100  -21.3500
            10  X   F    25.4100  -22.7500
            11  O1a O    26.6000  -17.8500
            12  O1a O    28.0000  -18.8300
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    9  10 1
            11    1  11 1 #Up
            12    2  12 1 #Up

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