KEGG   COMPOUND: C16889Help
Entry
C16889                      Compound                               

Name
Pahutoxin
Formula
C23H46NO4. Cl
Exact mass
435.3115
Mol weight
436.0686
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 27742-14-9
PubChem: 96023392
ChEBI: 80781
NIKKAJI: J2.805.605B
LinkDB All DBs
KCF data Show

ATOM        29
            1   N1d N    10.8500  -14.0700 #+
            2   C1b C    12.0624  -13.3700
            3   C1b C    13.2749  -14.0700
            4   O7a O    14.4873  -13.3700
            5   C7a C    15.6997  -14.0700
            6   C1b C    16.9122  -13.3700
            7   C1c C    18.1246  -14.0700
            8   C1b C    19.3370  -13.3700
            9   C1b C    20.5495  -14.0700
            10  C1b C    21.7619  -13.3700
            11  C1b C    22.9744  -14.0700
            12  C1b C    24.1868  -13.3700
            13  C1b C    25.3992  -14.0700
            14  C1b C    26.6117  -13.3700
            15  C1b C    27.8241  -14.0700
            16  C1b C    29.0365  -13.3700
            17  C1b C    30.2490  -14.0700
            18  C1a C     9.6376  -14.7700
            19  C1a C    10.1500  -12.8576
            20  C1a C    11.5500  -15.2824
            21  O6a O    15.6997  -15.4699
            22  O7a O    18.1246  -15.4700
            23  C7a C    19.3411  -16.1723
            24  C1a C    20.5386  -15.4808
            25  O6a O    19.3411  -17.5698
            26  C1b C    31.4547  -13.3739
            27  C1b C    32.6469  -14.0623
            28  C1a C    33.8358  -13.3758
            29  X   Cl   13.3700  -10.9900 #-
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17    1  18 1
            18    1  19 1
            19    1  20 1
            20    5  21 2
            21    7  22 1 #Down
            22   22  23 1
            23   23  24 1
            24   23  25 2
            25   17  26 1
            26   26  27 1
            27   27  28 1

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