KEGG   COMPOUND: C13806Help
Entry
C13806                      Compound                               

Name
Philanthotoxin 343
Formula
C23H41N5O3
Exact mass
435.3209
Mol weight
435.6033
Structure
Mol fileKCF fileDB search
Brite
Natural toxins [BR:br08009]
 Venoms
  Bee venoms
   Others
    C13806  Philanthotoxin 343
BRITE hierarchy
Other DBs
CAS: 115976-93-7
PubChem: 854051
ChEBI: 34920
ChEMBL: CHEMBL16117
NIKKAJI: J376.680B
KCF data Show

ATOM        31
            1   C8x C    13.0200  -20.8600
            2   C8y C    13.0200  -22.2600
            3   C8x C    14.2324  -22.9600
            4   C8x C    15.4449  -22.2600
            5   C8y C    15.4449  -20.8600
            6   C8x C    14.2324  -20.1600
            7   O1a O    11.8076  -22.9600
            8   C1b C    16.6824  -20.1600
            9   C1c C    17.8949  -20.8600
            10  C5a C    19.1073  -20.1600
            11  N1b N    20.3197  -20.8600
            12  C1b C    21.5322  -20.1600
            13  C1b C    22.7446  -20.8600
            14  C1b C    23.9570  -20.1600
            15  N1b N    25.1695  -20.8600
            16  C1b C    26.3819  -20.1600
            17  C1b C    27.5944  -20.8600
            18  C1b C    28.8068  -20.1600
            19  C1b C    30.0192  -20.8600
            20  N1b N    31.2317  -20.1600
            21  C1b C    32.4441  -20.8600
            22  C1b C    33.6565  -20.1600
            23  C1b C    34.8690  -20.8600
            24  N1a N    36.0814  -20.1600
            25  N1b N    17.8949  -22.2598
            26  C5a C    19.1324  -22.9600
            27  C1b C    20.3449  -22.2600
            28  C1b C    21.5573  -22.9600
            29  C1a C    22.7697  -22.2600
            30  O5a O    19.1385  -24.3597
            31  O5a O    19.1073  -18.7600
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25    9  25 1 #Up
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   26  30 2
            31   10  31 2

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