KEGG   COMPOUND: C13493
Entry
C13493                      Compound                               
Name
Polidocanol;
Nonaethylene glycol monododecyl ether
Formula
C30H62O10
Exact mass
582.4343
Mol weight
582.8073
Structure
Other DBs
CAS: 3055-99-0
PubChem: 853875
ChEBI: 46859
PDB-CCD: CE9[PDBj]
NIKKAJI: J205.362D
LinkDB
KCF data

ATOM        40
            1   O1a O    12.2500  -18.6433
            2   C1b C    13.4624  -17.9433
            3   C1b C    14.6749  -18.6433
            4   O2a O    15.8873  -17.9433
            5   C1b C    17.0997  -18.6433
            6   C1b C    18.3122  -17.9433
            7   O2a O    19.5246  -18.6433
            8   C1b C    20.7370  -17.9433
            9   C1b C    21.9495  -18.6433
            10  O2a O    23.1619  -17.9433
            11  C1b C    24.3744  -18.6433
            12  C1b C    25.5868  -17.9433
            13  O2a O    26.7992  -18.6433
            14  C1b C    28.0117  -17.9433
            15  C1b C    29.2241  -18.6433
            16  O2a O    30.4365  -17.9433
            17  C1b C    31.6490  -18.6433
            18  C1b C    32.8614  -17.9433
            19  O2a O    34.0738  -18.6433
            20  C1b C    35.2863  -17.9433
            21  C1b C    36.4987  -18.6433
            22  O2a O    37.7111  -17.9433
            23  C1b C    38.9236  -18.6433
            24  C1b C    40.1360  -17.9433
            25  O2a O    41.3485  -18.6433
            26  C1b C    42.5609  -17.9433
            27  C1b C    43.7733  -18.6433
            28  O2a O    44.9858  -17.9433
            29  C1b C    46.1982  -18.6433
            30  C1b C    47.4106  -17.9433
            31  C1b C    48.6231  -18.6433
            32  C1b C    49.8355  -17.9433
            33  C1b C    51.0479  -18.6433
            34  C1b C    52.2604  -17.9433
            35  C1b C    53.4728  -18.6433
            36  C1b C    54.6852  -17.9433
            37  C1b C    55.8977  -18.6433
            38  C1b C    57.1101  -17.9433
            39  C1b C    58.3226  -18.6433
            40  C1a C    59.5350  -17.9433
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1

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