KEGG   COMPOUND: C16828
Entry
C16828                      Compound                               
Name
Caffeoquinone;
Caffeic acid quinone
Formula
C9H6O4
Exact mass
178.0266
Mol weight
178.1415
Structure
Reaction
R02950
Enzyme
1.14.18.1
Other DBs
PubChem: 96023352
ChEBI: 133316
NIKKAJI: J39.014C
KCF data

ATOM        13
            1   C2y C    27.7408  -21.3755
            2   C2x C    27.7408  -22.7774
            3   C2x C    28.9548  -23.4784
            4   C5x C    30.1690  -22.7774
            5   C5x C    30.1690  -21.3755
            6   C2x C    28.9548  -20.6746
            7   O5x O    31.4018  -23.4894
            8   O5x O    31.4018  -20.6636
            9   C2b C    26.5266  -20.6746
            10  C2b C    25.3295  -21.3659
            11  C6a C    24.1405  -20.6795
            12  O6a O    22.9477  -21.3684
            13  O6a O    24.1403  -19.2729
BOND        13
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     5   8 2
            9     1   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   11  13 2

» Japanese version

  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
All databases (5)   

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