KEGG   COMPOUND: C15657
Entry
C15657                      Compound                               
Name
BILA 2185BS
Formula
C35H46N4O4S
Exact mass
618.324
Mol weight
618.8291
Structure
Other DBs
CAS: 154612-58-5
PubChem: 17396646
ChEBI: 80008
NIKKAJI: J728.854I
LinkDB
KCF data

ATOM        44
            1   C8y C    16.9891  -19.8485
            2   O2a O    18.2518  -19.1470
            3   C1b C    19.4443  -19.8485
            4   C5a C    20.6368  -19.1470
            5   N1b N    21.8995  -19.8485
            6   C1c C    23.0921  -19.1470
            7   C1c C    24.2846  -19.8485
            8   C1b C    25.5473  -19.1470
            9   N1y N    26.7398  -19.8485
            10  O5a O    20.6368  -17.7440
            11  C1b C    23.0921  -17.7440
            12  C8y C    24.2846  -17.0425
            13  O1a O    24.2846  -21.2515
            14  C1x C    26.7398  -21.2515
            15  C1x C    27.9324  -21.9530
            16  C1y C    29.1950  -21.2515
            17  C1x C    29.1950  -19.8485
            18  C1y C    27.9324  -19.1470
            19  S2a S    30.3876  -21.9530
            20  C8y C    31.5801  -21.2515
            21  C5a C    27.9324  -17.7440
            22  C8x C    25.5473  -16.3410
            23  C8x C    25.5473  -14.9380
            24  C8x C    24.3547  -14.2366
            25  C8x C    23.1622  -14.9380
            26  C8x C    23.1622  -16.3410
            27  N1b N    29.1249  -17.0425
            28  O5a O    26.7398  -17.0425
            29  C1d C    30.3174  -17.7440
            30  C1a C    31.5100  -17.0425
            31  C1a C    30.3174  -19.1470
            32  C1a C    31.5801  -18.4455
            33  C8x C    32.8025  -21.9439
            34  C8x C    34.0092  -21.2340
            35  N5x N    33.9977  -19.8341
            36  C8x C    32.7752  -19.1416
            37  C8x C    31.5685  -19.8515
            38  C8y C    15.8175  -19.1465
            39  C8x C    14.5939  -19.8268
            40  C8x C    14.5712  -21.2266
            41  C8x C    15.7427  -21.9285
            42  C8y C    16.9664  -21.2483
            43  C1a C    15.8398  -17.7801
            44  C1a C    18.1613  -21.9645
BOND        47
            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     4  10 2
            10    6  11 1 #Up
            11   11  12 1
            12    7  13 1 #Up
            13    9  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18    9  18 1
            19   16  19 1 #Down
            20   19  20 1
            21   18  21 1 #Down
            22   12  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   26  12 1
            28   21  27 1
            29   21  28 2
            30   27  29 1
            31   29  30 1
            32   29  31 1
            33   29  32 1
            34   20  33 1
            35   33  34 2
            36   34  35 1
            37   35  36 2
            38   36  37 1
            39   20  37 2
            40    1  38 2
            41   38  39 1
            42   39  40 2
            43   40  41 1
            44   41  42 2
            45    1  42 1
            46   38  43 1
            47   42  44 1

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