KEGG   COMPOUND: C03062
Entry
C03062                      Compound                               

Name
2-O-Caffeoylglucarate
Formula
C15H16O11
Exact mass
372.0693
Mol weight
372.2809
Structure
Reaction
Enzyme
Other DBs
PubChem: 5962
ChEBI: 17470
NIKKAJI: J2.740.499E
KCF data

ATOM        26
            1   O6a O    38.6488  -24.2265
            2   C6a C    37.4584  -24.9268
            3   C1c C    36.1979  -24.2265
            4   O6a O    37.4584  -26.3272
            5   C1c C    35.0076  -24.9268
            6   O7a O    36.1979  -22.8261
            7   C1c C    33.8172  -24.2265
            8   O1a O    35.0076  -26.3272
            9   C1c C    32.5568  -24.9268
            10  O1a O    33.8172  -22.8261
            11  C6a C    31.3664  -24.2265
            12  O1a O    32.5568  -26.3272
            13  O6a O    30.1760  -24.9268
            14  O6a O    31.3664  -22.8261
            15  C8y C    43.2003  -20.3753
            16  C8y C    42.5001  -21.6357
            17  C8x C    42.5001  -19.1850
            18  C8x C    41.0997  -21.6357
            19  C8x C    41.0997  -19.1850
            20  C8y C    40.3994  -20.4454
            21  C2b C    38.9990  -20.4454
            22  C2b C    38.3687  -21.6357
            23  C7a C    36.8981  -21.6357
            24  O6a O    36.1979  -20.4454
            25  O1a O    43.2003  -22.8261
            26  O1a O    44.6007  -20.3753
BOND        26
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 1
            5     3   6 1 #Up
            6     5   7 1
            7     5   8 1 #Up
            8     7   9 1
            9     7  10 1 #Up
            10    9  11 1
            11    9  12 1 #Down
            12   11  13 1
            13   11  14 2
            14   15  16 1
            15   15  17 2
            16   16  18 2
            17   17  19 1
            18   18  20 1
            19   20  21 1
            20   21  22 2
            21   22  23 1
            22   23   6 1
            23   23  24 2
            24   19  20 2
            25   16  25 1
            26   15  26 1

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