KEGG   COMPOUND: C03343Help
Entry
C03343                      Compound                               

Name
2-Ethylhexyl phthalate
Formula
C16H22O4
Exact mass
278.1518
Mol weight
278.3435
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        20
            1   C8y C    29.4897  -14.3323
            2   C8y C    29.4550  -12.9233
            3   C8x C    28.2903  -15.0426
            4   C8x C    28.2396  -12.2432
            5   C6a C    30.7134  -12.1630
            6   C8x C    27.0352  -14.3713
            7   C8x C    27.0268  -12.9690
            8   O6a O    31.9377  -12.8452
            9   O6a O    30.7552  -10.7649
            10  C7a C    30.6824  -15.0500
            11  O7a O    31.8949  -14.3500
            12  C1b C    33.1073  -15.0500
            13  C1c C    34.3197  -14.3500
            14  C1b C    35.5322  -15.0500
            15  C1b C    36.7446  -14.3500
            16  C1b C    37.9570  -15.0500
            17  C1a C    39.1695  -14.3500
            18  O6a O    30.6698  -16.4500
            19  C1b C    34.3197  -12.9500
            20  C1a C    35.5173  -12.2585
BOND        20
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 2
            9     6   7 2
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   10  18 2
            19   13  19 1
            20   19  20 1

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