KEGG   COMPOUND: C17208
Entry
C17208                      Compound                               
Name
Neosaxitoxin;
NeoSTX
Formula
C10H17N7O5
Exact mass
315.1291
Mol weight
315.2859
Structure
Brite
Natural toxins [BR:br08009]
 Marine biotoxins
  Paralytic shellfish poisoning; PSP
   Carbamate derivatives
    C17208  Neosaxitoxin
Other DBs
CAS: 64296-20-4
PubChem: 135626097
ChEBI: 167561 181363
KCF data

ATOM        22
            1   N1y N    21.4900  -17.6400
            2   C2y C    21.4900  -19.0400
            3   N1y N    22.6800  -19.7400
            4   C1z C    23.9400  -19.0400
            5   C1y C    23.9400  -17.6400
            6   C1y C    22.6800  -16.9400
            7   N1x N    25.2700  -19.4600
            8   C2y C    26.0400  -18.3400
            9   N1x N    25.2700  -17.2200
            10  C1x C    23.0300  -21.0700
            11  C1x C    24.3600  -21.2100
            12  C1z C    24.9200  -19.9500
            13  C1b C    22.6800  -15.5400
            14  N2a N    27.4400  -18.3400
            15  N2a N    20.3000  -19.7400
            16  O1a O    26.9500  -19.9500
            17  O1a O    26.0400  -21.0700
            18  O7a O    21.4900  -14.8400
            19  C7a C    21.4900  -13.4400
            20  N1a N    20.3000  -12.7400
            21  O6a O    22.6800  -12.7400
            22  O1b O    20.3000  -16.9400
BOND        24
            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   18  19 1
            22   19  20 1
            23   19  21 2
            24    1  22 1

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