KEGG   COMPOUND: C10331
Entry
C10331                      Compound                               
Name
2,6-Dimethoxybenzoquinone;
2,6-Dimetoxy-p-benzoquinone
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.15
Structure
Other DBs
CAS: 530-55-2
PubChem: 12517
KNApSAcK: C00000258
PDB-CCD: KIA[PDBj]
NIKKAJI: J6.704K
KCF data

ATOM        12
            1   C2y C    35.7912  -25.9648
            2   C5x C    34.5800  -25.2717
            3   C2x C    35.7855  -27.3683
            4   O2a O    37.0084  -25.2717
            5   C2y C    33.3629  -25.9648
            6   O5x O    34.5857  -23.8683
            7   C5x C    34.5800  -28.0728
            8   C1a C    38.2197  -25.9765
            9   C2x C    33.3629  -27.3683
            10  O2a O    32.1516  -25.2717
            11  O5x O    34.5857  -29.4705
            12  C1a C    30.9403  -25.9648
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    7  11 2
            11   10  12 1
            12    7   9 1

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  All links  
Chemical substance (5)   
   PubChem (1)   
   HMDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (5)   

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