KEGG   COMPOUND: C20031
Entry
C20031                      Compound                               
Name
Pumiliotoxin 251D;
PTX 251D
Formula
C16H29NO
Exact mass
251.2249
Mol weight
251.4076
Structure
Brite
Natural toxins [BR:br08009]
 Venoms
  Frog venoms
   Alkaloids
    C20031  Pumiliotoxin 251D
Other DBs
CAS: 73376-35-9
PubChem: 135626497
ChEBI: 177689
KCF data

ATOM        18
            1   C2y C    16.0300  -17.5000
            2   C1x C    16.0300  -18.9000
            3   C1z C    17.2424  -19.6000
            4   C1y C    18.4549  -18.9000
            5   N1y N    18.4549  -17.5000
            6   C1x C    17.2424  -16.8000
            7   C1x C    19.7864  -19.3326
            8   C1x C    20.6093  -18.2000
            9   C1x C    19.7864  -17.0674
            10  C2b C    14.8176  -16.8000
            11  C1c C    14.8176  -15.4000
            12  C1a C    16.0467  -14.6902
            13  C1b C    13.6220  -14.7097
            14  C1b C    12.4348  -15.3952
            15  C1b C    11.2434  -14.7072
            16  C1a C    10.0541  -15.3939
            17  O1a O    17.9424  -21.3724
            18  C1a C    16.3815  -21.1612
BOND        19
            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    1  10 2
            12   10  11 1
            13   11  12 1 #Up
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18    3  17 1 #Up
            19    3  18 1 #Down

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