KEGG   COMPOUND: C05592
Entry
C05592                      Compound                               
Name
3-Carboxymethylmuconate
Formula
C8H8O6
Exact mass
200.0321
Mol weight
200.1455
Structure
Other DBs
PubChem: 7916
ChEBI: 28251
NIKKAJI: J2.756.587E
KCF data

ATOM        14
            1   O6a O    16.7300  -18.2000
            2   C6a C    17.9424  -17.5000
            3   C2b C    19.1549  -18.2000
            4   C2b C    20.3673  -17.5000
            5   C2c C    21.5797  -18.2000
            6   C2b C    22.7922  -17.5000
            7   C6a C    24.0046  -18.2000
            8   O6a O    25.2170  -17.5000
            9   O6a O    17.9424  -16.1002
            10  O6a O    24.0046  -19.6000
            11  C1b C    21.5797  -19.5999
            12  C6a C    20.3525  -20.3085
            13  O6a O    19.1496  -19.6140
            14  O6a O    20.3527  -21.6999
BOND        13
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     2   9 2
            9     7  10 2
            10    5  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 2

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  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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