KEGG   COMPOUND: C17161
Entry
C17161                      Compound                               
Name
Fistularin 2
Formula
C22H21Br4N3O8
Exact mass
770.8062
Mol weight
775.0334
Structure
Other DBs
CAS: 73622-21-6
PubChem: 96023604
ChEBI: 80951
NIKKAJI: J2.805.663J
LinkDB
KCF data

ATOM        37
            1   C2y C    15.0642  -15.6270
            2   C2y C    15.7681  -16.8237
            3   C2x C    17.1760  -16.8240
            4   C1z C    17.8800  -15.5566
            5   C1y C    17.1760  -14.3599
            6   C2y C    15.7681  -14.3599
            7   C1x C    18.7247  -16.6829
            8   C2y C    19.9918  -16.2605
            9   N2x N    19.9918  -14.8526
            10  O2x O    18.6543  -14.4303
            11  O1a O    17.8096  -13.1632
            12  X   Br   14.9938  -13.1632
            13  O2a O    13.5859  -15.5566
            14  X   Br   15.0642  -18.0203
            15  C5a C    21.2588  -16.8940
            16  N1b N    22.4555  -16.1901
            17  C1b C    23.6522  -16.8940
            18  C1c C    24.9193  -16.1901
            19  C8y C    26.1160  -16.8940
            20  C1a C    12.8820  -14.4303
            21  O5a O    21.2588  -18.3019
            22  O1a O    24.9193  -14.7822
            23  C8x C    26.1045  -18.3019
            24  C8y C    27.3180  -19.0157
            25  C8y C    28.6134  -18.3217
            26  C8y C    28.5544  -16.9139
            27  C8x C    27.3409  -16.2001
            28  X   Br   29.8071  -16.2043
            29  X   Br   27.3066  -20.4137
            30  O2a O    29.7229  -19.0157
            31  C1b C    30.9392  -18.3264
            32  C1y C    32.0233  -18.9011
            33  C1x C    32.4168  -20.2528
            34  N1x N    33.8241  -20.2963
            35  C7x C    34.3002  -18.9715
            36  O7x O    33.1873  -18.1091
            37  O6a O    35.6256  -18.5862
BOND        40
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    4  10 1
            12    5  11 1
            13    6  12 1
            14    1  13 1
            15    2  14 1
            16    8  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   13  20 1
            22   15  21 2
            23   18  22 1
            24   19  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   19  27 1
            30   26  28 1
            31   24  29 1
            32   25  30 1
            33   30  31 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   32  36 1
            39   31  32 1
            40   35  37 2

» Japanese version

DBGET integrated database retrieval system