KEGG   COMPOUND: C21145
Entry
C21145                      Compound                               

Name
Protoasukamycin
Formula
C31H34N2O5
Exact mass
514.2468
Mol weight
514.6121
Structure
Reaction
Enzyme
Other DBs
PubChem: 313046625
KCF data

ATOM        38
            1   C2b C    15.5702  -14.2475
            2   C8y C    15.5282  -12.8502
            3   C1x C    27.6428   -8.6177
            4   C1y C    27.6428  -10.0197
            5   C1x C    28.8606  -10.7171
            6   C1x C    30.0644  -10.0197
            7   C1x C    30.0644   -8.6177
            8   C1x C    28.8606   -7.9133
            9   C2b C    26.4309  -10.7171
            10  C2b C    25.2192  -10.0268
            11  C2b C    24.0076  -10.7242
            12  C2b C    22.7959  -10.0337
            13  C2b C    21.5840  -10.7312
            14  C2b C    20.3724  -10.0408
            15  C5a C    19.1678  -10.7383
            16  N1b N    17.9520  -10.0423
            17  O5a O    19.1695  -12.1402
            18  C8y C    16.7376  -10.7411
            19  C8y C    15.5249  -10.0464
            20  C8x C    16.7422  -12.1443
            21  C8x C    14.3123  -12.1472
            22  C8x C    14.3030  -10.7494
            23  O1a O    15.5235   -8.6444
            24  C2b C    14.3427  -15.0056
            25  C2b C    14.3837  -16.3796
            26  C2b C    13.1683  -17.1307
            27  C2b C    13.1410  -18.5491
            28  C2b C    12.0335  -19.2770
            29  C5a C    12.0051  -20.6496
            30  O5a O    10.8053  -21.3099
            31  N1b N    13.2283  -21.3902
            32  C2y C    13.1983  -22.8196
            33  C2y C    12.0702  -23.6041
            34  C1x C    12.4677  -24.9195
            35  C1x C    13.8415  -24.9479
            36  C5x C    14.2931  -23.6502
            37  O5x O    15.6185  -23.2497
            38  O1a O    10.7166  -23.1332
BOND        40
            1     2  20 2
            2    20  18 1
            3     2   1 1
            4     9  10 2
            5    21  22 2
            6    10  11 1
            7    11  12 2
            8     3   4 1
            9    12  13 1
            10    4   5 1
            11   13  14 2
            12    5   6 1
            13   14  15 1
            14    6   7 1
            15   15  16 1
            16    7   8 1
            17   15  17 2
            18    8   3 1
            19   16  18 1
            20   19  23 1
            21    4   9 1
            22   18  19 2
            23   19  22 1
            24   21   2 1
            25    1  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   29  31 1
            33   31  32 1
            34   32  33 2
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   32  36 1
            39   36  37 2
            40   33  38 1

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