KEGG   DRUG: Sodium santoninate
Entry
D09804                      Drug                                   
Name
Sodium santoninate (JAN)
Formula
C15H19O4. Na
Exact mass
286.1181
Mol weight
286.30
Structure
Simcomp
Efficacy
Anthelmintic
Other DBs
CAS: 6106-18-9
PubChem: 124490544
LigandBox: D09804
LinkDB
KCF data

ATOM        20
            1   Z   Na   24.3378  -30.7761 #+
            2   C2x C    15.1900  -26.3900
            3   C5x C    15.1900  -27.7900
            4   C2y C    16.3800  -28.4900
            5   C2y C    17.6400  -27.7900
            6   C1z C    17.6400  -26.3900
            7   C2x C    16.3800  -25.6900
            8   C1y C    18.8300  -28.4900
            9   C1y C    20.0200  -27.7900
            10  C1x C    20.0200  -26.3900
            11  C1x C    18.8300  -25.6900
            12  C1a C    17.6400  -24.9900
            13  C1a C    16.3800  -29.8900
            14  O5x O    14.0000  -28.4900
            15  O1a O    18.8300  -29.8900
            16  C1c C    21.2100  -28.4900
            17  C1a C    22.4000  -27.7900
            18  C6a C    21.2100  -29.8900
            19  O6a O    22.4000  -30.5900
            20  O6a O    19.9947  -30.5851 #-
BOND        20
            1     2   3 1
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 1
            6     2   7 2
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12    6  12 1 #Up
            13    4  13 1
            14    3  14 2
            15    8  15 1 #Down
            16    9  16 1
            17   16  17 1 #Down
            18   16  18 1
            19   18  19 2
            20   18  20 1

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