KEGG   COMPOUND: C11055Help
Entry
C11055                      Compound                               

Name
Spinosyn B
Formula
C40H63NO10
Exact mass
717.4452
Mol weight
717.9289
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 13237
ChEBI: 9231
KNApSAcK: C00041879
NIKKAJI: J739.085H
LinkDB All DBs
KCF data Show

ATOM        51
            1   C1y C    33.9787  -21.2857
            2   C1y C    33.9716  -22.6861
            3   C1y C    35.1819  -23.3958
            4   C1y C    36.3990  -22.6982
            5   C1y C    36.4060  -21.2978
            6   O2x O    35.1959  -20.5951
            7   C1y C    22.1211  -15.7263
            8   C1x C    22.1142  -14.3261
            9   C1x C    20.8968  -13.6355
            10  C1y C    19.6867  -14.3382
            11  C1y C    19.6938  -15.7385
            12  O2x O    20.9110  -16.4362
            13  C1x C    22.1211  -18.5130
            14  C1y C    24.5403  -18.5130
            15  C1y C    23.3378  -17.8163
            16  C1x C    22.1211  -19.9134
            17  C1x C    20.9060  -20.6197
            18  C1y C    20.9075  -22.0225
            19  O7x O    22.1240  -22.7192
            20  C5x C    24.5403  -19.9134
            21  C7x C    23.3297  -22.0080
            22  C1x C    24.5308  -22.7070
            23  C2y C    25.7485  -20.6194
            24  C1y C    25.7399  -22.0256
            25  C2x C    27.0888  -20.1953
            26  C1y C    27.9112  -21.3323
            27  C1y C    27.0725  -22.4571
            28  C2x C    27.6318  -23.7432
            29  C2x C    29.0226  -23.9045
            30  C1y C    29.3020  -21.4936
            31  C1y C    29.8525  -22.7861
            32  C1x C    31.2525  -22.6597
            33  C1y C    31.5695  -21.2890
            34  C1x C    30.3616  -20.5726
            35  O2a O    23.3316  -16.4230
            36  C1a C    18.6942  -16.7256
            37  N1b N    18.4760  -13.6434
            38  C1a C    17.2655  -14.3401
            39  C1a C    25.7453  -17.8094
            40  C1b C    19.6864  -22.7072
            41  C1a C    18.4689  -22.0105
            42  O5x O    23.1345  -19.9063
            43  O6a O    23.3015  -20.8552
            44  O2a O    32.7683  -20.5890
            45  C1a C    37.6098  -20.5890
            46  O2a O    37.6027  -23.3968
            47  C1a C    38.8132  -22.6861
            48  O2a O    35.1678  -24.7901
            49  O2a O    32.7542  -23.3828
            50  C1a C    32.7471  -24.7830
            51  C1a C    36.3803  -25.4901
BOND        56
            1    13  16 1
            2    26  27 1
            3    27  28 1
            4    28  29 2
            5    29  31 1
            6    30  26 1
            7    20  14 1
            8    14  15 1
            9    15  13 1
            10    2   3 1
            11    3   4 1
            12   30  31 1
            13   31  32 1
            14   32  33 1
            15   33  34 1
            16   34  30 1
            17    4   5 1
            18   15  35 1 #Down
            19    7  35 1 #Down
            20    5   6 1
            21   11  36 1 #Down
            22   16  17 1
            23   10  37 1 #Up
            24   17  18 1
            25   37  38 1
            26   18  19 1
            27   14  39 1 #Up
            28   19  21 1
            29   18  40 1 #Up
            30    7   8 1
            31   40  41 1
            32    8   9 1
            33   20  42 2
            34    9  10 1
            35   21  43 2
            36   21  22 1
            37   22  24 1
            38   23  20 1
            39   10  11 1
            40   11  12 1
            41   33  44 1 #Down
            42    1  44 1 #Down
            43   12   7 1
            44    5  45 1 #Up
            45   23  24 1
            46    4  46 1 #Down
            47   24  27 1
            48   46  47 1
            49   26  25 1
            50    3  48 1 #Up
            51   25  23 2
            52    6   1 1
            53    2  49 1 #Up
            54   49  50 1
            55    1   2 1
            56   48  51 1

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