KEGG   COMPOUND: C04103
Entry
C04103                      Compound                               

Name
13-beta-D-Glucosyloxydocosanoate
Formula
C28H54O8
Exact mass
518.3819
Mol weight
518.7236
Structure
Reaction
Enzyme
Other DBs
PubChem: 6794
ChEBI: 36486 36487
NIKKAJI: J2.746.311H
KCF data

ATOM        36
            1   C1y C    19.7524  -14.6295
            2   O2x O    18.5297  -13.9280
            3   O2a O    20.9685  -13.9280
            4   C1y C    19.7524  -16.0322
            5   C1y C    17.3202  -14.6295
            6   C1c C    22.1846  -14.6358
            7   C1y C    18.5297  -16.7271
            8   O1a O    20.9685  -16.7271
            9   C1y C    17.3202  -16.0322
            10  C1b C    16.1233  -13.9280
            11  C1b C    23.3943  -13.9345
            12  C1b C    22.1782  -16.0322
            13  O1a O    18.5297  -18.1235
            14  O1a O    16.1233  -16.7271
            15  O1a O    15.0486  -14.8353
            16  C1b C    24.6041  -14.6358
            17  C1b C    23.3943  -16.7336
            18  C1b C    25.8202  -13.9345
            19  C1b C    24.6041  -16.0322
            20  C1b C    27.0300  -14.6358
            21  C1b C    25.8139  -16.7336
            22  C1b C    28.2397  -13.9345
            23  C1b C    27.0300  -16.0322
            24  C1b C    29.4558  -14.6358
            25  C1b C    28.2397  -16.7336
            26  C1b C    30.6656  -13.9345
            27  C1b C    29.4558  -16.0322
            28  C1b C    31.8817  -14.6358
            29  C1b C    30.6656  -16.7336
            30  C1b C    33.0915  -13.9345
            31  C1a C    31.8754  -16.0322
            32  C1b C    34.3012  -14.6358
            33  C1b C    35.5173  -13.9345
            34  C6a C    36.7271  -14.6358
            35  O6a O    37.9367  -13.9280
            36  O6a O    36.7206  -16.0322
BOND        36
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1
            11    6  12 1
            12    7  13 1 #Up
            13    9  14 1 #Down
            14   10  15 1
            15   11  16 1
            16   12  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30   29  31 1
            31   30  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   34  36 2
            36    7   9 1

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