KEGG   COMPOUND: C04553Help
Entry
C04553                      Compound                               

Name
3-Carboxy-2,5-dihydro-5-oxofuran-2-acetate;
4-Carboxy-2,5-dihydro-2-oxofuran-5-acetate
Formula
C7H6O6
Exact mass
186.0164
Mol weight
186.1189
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00362  Benzoate degradation
Enzyme
Other DBs
PubChem: 7158
ChEBI: 16989
NIKKAJI: J1.557.068G
LinkDB All DBs
KCF data Show

ATOM        13
            1   C7x C    17.0066  -20.3912
            2   C2x C    17.3894  -21.7379
            3   C2y C    18.7885  -21.7899
            4   C1y C    19.2703  -20.4754
            5   O7x O    18.1690  -19.6110
            6   O6a O    15.6884  -19.9081
            7   C1b C    20.4624  -19.8100
            8   C6a C    21.6749  -20.5100
            9   O6a O    22.9060  -19.7990
            10  O6a O    21.6750  -21.9098
            11  C6a C    19.5504  -22.9255
            12  O6a O    20.9243  -22.8334
            13  O6a O    18.9158  -24.2181
BOND        13
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    3  11 1
            12   11  12 1
            13   11  13 2

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