KEGG   COMPOUND: C13416
Entry
C13416                      Compound                               
Name
Sodium equilin sulfate
Formula
C18H19O5S. Na
Exact mass
370.0851
Mol weight
370.3952
Structure
Other DBs
CAS: 16680-47-0
PubChem: 586158
ChEBI: 32143
NIKKAJI: J318.292D
LinkDB
KCF data

ATOM        25
            1   Z   Na   16.6022  -15.8092 #+
            2   C2y C    24.9943  -17.9151
            3   C1y C    23.8583  -17.2334
            4   C1y C    26.1758  -17.2334
            5   C2x C    24.9943  -19.2329
            6   C8y C    22.6767  -17.9151
            7   C1x C    23.8583  -15.9156
            8   C1z C    26.1968  -15.9481
            9   C1x C    23.8583  -19.9145
            10  C8y C    22.6767  -19.2329
            11  C8x C    21.4952  -17.2334
            12  C1x C    25.0398  -15.2340
            13  C1a C    26.2668  -14.5522
            14  C8x C    21.5405  -19.9145
            15  C8x C    20.3591  -17.9151
            16  C8y C    20.3591  -19.2329
            17  O2a O    19.1775  -19.9145
            18  S4a S    18.0414  -19.2329
            19  O1d O    16.6782  -18.5967
            20  O1d O    17.3598  -20.5508
            21  O1d O    18.6776  -17.9605 #-
            22  C1x C    28.5389  -17.2334
            23  C1x C    28.5389  -15.8702
            24  C5x C    27.3574  -15.1884
            25  O5x O    27.3504  -13.7826
BOND        27
            1     2   3 1
            2     2   4 1
            3     2   5 2
            4     3   6 1
            5     4   8 1
            6     5   9 1
            7     6  10 2
            8     6  11 1
            9     7  12 1
            10    8  13 1 #Up
            11   10  14 1
            12   11  15 2
            13   14  16 2
            14   16  17 1
            15   17  18 1
            16   18  19 2
            17   18  20 2
            18   18  21 1
            19    8  12 1
            20    9  10 1
            21   15  16 1
            22    3   7 1
            23    4  22 1
            24   22  23 1
            25   23  24 1
            26    8  24 1
            27   24  25 2

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