KEGG   COMPOUND: C08063
Entry
C08063                      Compound                               
Name
1,4-Cyclohexanedione
Formula
C6H8O2
Exact mass
112.0524
Mol weight
112.1265
Structure
Reaction
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Other DBs
CAS: 637-88-7
PubChem: 10263
ChEBI: 28286
3DMET: B01109
NIKKAJI: J23.544J
KCF data

ATOM        8
            1   C5x C    28.8400  -18.3377
            2   C1x C    27.6294  -17.6418
            3   C1x C    30.0506  -17.6418
            4   O5x O    28.8458  -19.7413
            5   C1x C    27.6294  -16.2382
            6   C1x C    30.0506  -16.2382
            7   C5x C    28.8400  -15.5423
            8   O5x O    28.8458  -14.1387
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     7   8 2
            8     6   7 1

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