KEGG   COMPOUND: C13680
Entry
C13680                      Compound                               
Name
Lophotoxin
Formula
C22H24O8
Exact mass
416.1471
Mol weight
416.4212
Structure
Other DBs
CAS: 78697-56-0
PubChem: 586272
ChEBI: 34824
KNApSAcK: C00039655
NIKKAJI: J342.191K
KCF data

ATOM        30
            1   C8y C    25.6779  -20.3403
            2   C8x C    25.6779  -21.6894
            3   C8y C    28.0134  -21.6894
            4   C8y C    28.0134  -20.3403
            5   O2x O    26.8491  -19.6657
            6   C1y C    24.5201  -20.3458
            7   C1z C    23.6269  -19.0456
            8   C1x C    24.4483  -17.7436
            9   C1z C    28.0013  -17.6829
            10  C7x C    27.9944  -16.4038
            11  O7x O    25.6578  -16.3456
            12  C1y C    25.6646  -17.6947
            13  C1y C    26.8363  -18.3634
            14  C1y C    29.3504  -17.6829
            15  C1x C    30.6586  -18.3097
            16  C1y C    30.6517  -19.6588
            17  C1x C    29.3572  -20.3403
            18  C4a C    29.1733  -22.3639
            19  O4a O    29.1690  -23.7130
            20  O6a O    28.9435  -15.3751
            21  O2x O    23.0001  -20.1221
            22  O2x O    28.0013  -19.0320
            23  C2c C    31.8169  -20.3334
            24  O7a O    30.3042  -16.7222
            25  C7a C    31.6533  -16.7222
            26  O6a O    32.3279  -17.8905
            27  C1a C    32.3279  -15.5538
            28  C1a C    22.9991  -17.9696
            29  C2a C    31.8152  -21.6825
            30  C1a C    32.9861  -19.6603
BOND        34
            1    14  15 1
            2     3   4 2
            3    15  16 1
            4    16  17 1
            5     7   8 1
            6     4  17 1
            7     4   5 1
            8     3  18 1
            9     5   1 1
            10   18  19 2
            11    2   3 1
            12   10  20 2
            13    7  21 1 #Down
            14    6  21 1 #Down
            15    1   6 1
            16    9  10 1
            17   13  22 1 #Down
            18    9  22 1 #Down
            19   11  12 1
            20   16  23 1 #Down
            21   12  13 1
            22   14  24 1 #Up
            23   13   9 1
            24   24  25 1
            25   10  11 1
            26   25  26 2
            27    8  12 1
            28   25  27 1
            29    1   2 2
            30    7  28 1
            31    9  14 1
            32   23  29 2
            33    6   7 1
            34   23  30 1

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