KEGG   COMPOUND: C12018
Entry
C12018                      Compound                               
Name
SM-17466
Formula
C20H21N4O5S2
Exact mass
461.0953
Mol weight
461.5345
Structure
Other DBs
PubChem: 14175
ChEBI: 29675
NIKKAJI: J660.155C
LinkDB
KCF data

ATOM        31
            1   C8x C    34.2930  -23.3735
            2   C8y C    34.2930  -24.7735
            3   C8x C    35.5084  -25.4736
            4   C8x C    36.7167  -24.7735
            5   N5y N    36.7167  -23.3735 #+
            6   C8x C    35.5084  -22.6735
            7   N1y N    26.0832  -25.3760
            8   C1y C    26.0832  -23.9715
            9   C2y C    27.4174  -25.7972
            10  C5x C    24.6787  -25.3818
            11  C1y C    24.6787  -23.9715
            12  C1y C    27.4114  -23.5444
            13  C2y C    28.2365  -24.6678
            14  C6a C    27.8562  -27.1314
            15  O5x O    23.6663  -26.3708
            16  C1c C    23.4557  -23.2693
            17  C1a C    27.7742  -22.1866
            18  S2a S    29.6409  -24.6678
            19  O6a O    29.2255  -27.4182
            20  O6a O    26.9200  -28.1730
            21  C1a C    22.2386  -23.9656
            22  O1a O    23.4440  -21.8589
            23  C8y C    30.8406  -25.3700
            24  N5x N    32.0109  -24.6152
            25  S2x S    31.2033  -26.7159
            26  C8y C    33.0876  -25.4871
            27  C8x C    32.5903  -26.7862
            28  C1b C    37.9297  -22.6743
            29  C5a C    39.1416  -23.3752
            30  N1a N    40.3546  -22.6762
            31  O5a O    39.1405  -24.7752
BOND        34
            1     6   1 2
            2     1   2 1
            3     7   8 1
            4     7   9 1
            5     7  10 1
            6     8  11 1
            7     8  12 1
            8     9  13 2
            9     9  14 1
            10   10  15 2
            11   11  16 1
            12   12  17 1 #Up
            13   13  18 1
            14   14  19 1
            15   14  20 2
            16   16  21 1
            17   16  22 1 #Up
            18   23  18 1
            19   23  24 2
            20   23  25 1
            21   24  26 1
            22   25  27 1
            23   26   2 1
            24   10  11 1
            25   12  13 1
            26   26  27 2
            27    2   3 2
            28    5  28 1
            29    3   4 1
            30   28  29 1
            31    4   5 2
            32   29  30 1
            33    5   6 1
            34   29  31 2

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