KEGG   COMPOUND: C02975
Entry
C02975                      Compound                               
Name
Ethyl 3-oxohexanoate;
Ethyl butyrylacetate
Formula
C8H14O3
Exact mass
158.0943
Mol weight
158.195
Structure
Reaction
R04105 R04106
Enzyme
1.1.1.279       1.1.1.280
Other DBs
CAS: 3249-68-1
PubChem: 5886
ChEBI: 18119
3DMET: B00521
NIKKAJI: J100.919B
LinkDB
KCF data

ATOM        11
            1   C5a C    17.2003  -15.1256
            2   C1b C    18.4100  -15.8271
            3   C1b C    15.9842  -15.8271
            4   O5a O    17.2003  -13.7229
            5   C7a C    19.6197  -15.1256
            6   C1b C    14.7745  -15.1256
            7   O7a O    20.8295  -15.8271
            8   O6a O    19.6197  -13.7229
            9   C1a C    13.5647  -15.8271
            10  C1b C    22.0455  -15.1322
            11  C1a C    23.2553  -15.8334
BOND        10
            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     5   8 2
            8     6   9 1
            9     7  10 1
            10   10  11 1

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