KEGG   COMPOUND: C03750
Entry
C03750                      Compound                               
Name
2,6-Dioxo-6-phenylhexanoate
Formula
C12H12O4
Exact mass
220.0736
Mol weight
220.2213
Structure
Reaction
Enzyme
Other DBs
PubChem: 6510
ChEBI: 15707
3DMET: B00632
NIKKAJI: J2.747.793C
KCF data

ATOM        16
            1   C8y C    15.4140  -14.7563
            2   C5a C    16.6248  -15.4518
            3   C8x C    15.4074  -13.3522
            4   C8x C    14.2032  -15.4453
            5   C1b C    17.8354  -14.7563
            6   O5a O    16.6248  -16.8557
            7   C8x C    14.2032  -12.6439
            8   C8x C    12.9924  -14.7563
            9   C1b C    19.0527  -15.4518
            10  C8x C    12.9861  -13.3522
            11  C1b C    20.2633  -14.7563
            12  C5a C    21.4741  -15.4518
            13  C6a C    22.6912  -14.7563
            14  O5a O    21.4741  -16.8557
            15  O6a O    23.9020  -15.4582
            16  O6a O    22.6848  -13.3522
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    9  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 2
            14   13  15 1
            15   13  16 2
            16    8  10 2

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