KEGG   COMPOUND: C20022
Entry
C20022                      Compound                               
Name
Decarbamoylgonyautoxin 1
Formula
C9H16N6O8S
Exact mass
368.075
Mol weight
368.3237
Structure
Brite
Natural toxins [BR:br08009]
 Marine biotoxins
  Paralytic shellfish poisoning; PSP
   Decarbamoyl derivatives
    C20022  Decarbamoylgonyautoxin 1
Other DBs
CAS: 122075-86-9
PubChem: 135626488
ChEBI: 138835
KCF data

ATOM        24
            1   N1y N    27.3700  -19.6700
            2   C2y C    27.3700  -21.0700
            3   N1y N    28.5600  -21.7700
            4   C1z C    29.8200  -21.0700
            5   C1y C    29.8200  -19.6700
            6   C1y C    28.5600  -18.9700
            7   N1x N    31.2900  -21.3500
            8   C2y C    31.9200  -20.3700
            9   N1x N    31.1500  -19.2500
            10  C1x C    28.9100  -23.1000
            11  C1y C    30.3100  -23.1000
            12  C1z C    30.8000  -21.9800
            13  C1b C    28.5600  -17.5700
            14  N2a N    33.3200  -20.3700
            15  N2a N    26.1800  -21.7700
            16  O1a O    32.3400  -22.2600
            17  O1a O    31.7100  -23.2400
            18  O1a O    27.3700  -16.8000
            19  O1b O    26.1547  -18.9749
            20  O2a O    31.0763  -24.2717
            21  S4a S    30.4380  -25.5341
            22  O1d O    29.7380  -26.7466
            23  O1d O    31.6854  -26.2087
            24  O1d O    29.2225  -24.8768
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    3  10 1
            12   10  11 1
            13   11  12 1
            14    4  12 1 #Up
            15    6  13 1 #Up
            16    8  14 2
            17    2  15 2
            18   12  16 1
            19   12  17 1
            20   13  18 1
            21    1  19 1
            22   11  20 1 #Down
            23   20  21 1
            24   21  22 1
            25   21  23 2
            26   21  24 2

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