KEGG   COMPOUND: C11369
Entry
C11369                      Compound                               
Name
Fluo-3
Formula
C36H30Cl2N2O13
Exact mass
768.1125
Mol weight
769.535
Structure
Other DBs
CAS: 123632-39-3
PubChem: 13543
ChEBI: 5107
NIKKAJI: J356.375H
LinkDB
KCF data

ATOM        53
            1   C8x C    29.2665  -13.6488
            2   C8x C    29.2654  -16.4504
            3   C8y C    28.0514  -15.7453
            4   C8y C    28.0500  -14.3476
            5   C8y C    30.4783  -15.7506
            6   C8y C    30.4807  -14.3466
            7   O2x O    31.6986  -13.6503
            8   C8y C    31.6940  -16.4579
            9   C8y C    32.9048  -15.7546
            10  C8y C    32.9029  -14.3563
            11  C8x C    34.1140  -13.6591
            12  C8y C    35.3268  -14.3532
            13  C8y C    35.3287  -15.7516
            14  C8x C    34.1176  -16.4558
            15  C8y C    31.6928  -17.8547
            16  C8x C    32.8956  -18.5503
            17  C8x C    32.8946  -19.9470
            18  C8y C    31.6906  -20.6479
            19  C8y C    30.4807  -19.9452
            20  C8x C    30.4819  -18.5485
            21  O2a O    29.2518  -20.6330
            22  C1b C    28.0333  -21.3172
            23  C1b C    26.8296  -20.6001
            24  O2a O    25.6111  -21.2842
            25  C8y C    24.4074  -20.5669
            26  C8y C    23.1811  -21.2446
            27  C8x C    21.9845  -20.5275
            28  C8x C    22.0073  -19.1258
            29  C8y C    23.2267  -18.4412
            30  C8x C    24.4302  -19.1654
            31  C1a C    23.2622  -17.0335
            32  N1c N    31.6926  -22.0403
            33  C1b C    32.9032  -22.7321
            34  C6a C    34.1140  -22.0292
            35  O6a O    35.3317  -22.7209
            36  O6a O    34.1167  -20.6246
            37  C1b C    30.4733  -22.7304
            38  C6a C    30.4741  -24.1289
            39  O6a O    31.6916  -24.8278
            40  O6a O    29.2545  -24.8259
            41  N1c N    23.1738  -22.6455
            42  C1b C    24.3846  -23.3555
            43  C1b C    21.9622  -23.3366
            44  C6a C    24.3767  -24.7570
            45  O6a O    25.5874  -25.4600
            46  O6a O    23.1579  -25.4411
            47  C6a C    20.7587  -22.6124
            48  O6a O    20.7809  -21.2112
            49  O6a O    19.5400  -23.3037
            50  O1a O    26.8426  -13.6381
            51  X   Cl   26.8345  -16.4377
            52  X   Cl   36.5443  -16.4432
            53  O5x O    36.5367  -13.6427
BOND        57
            1    24  25 1
            2     9  10 1
            3    10  11 2
            4    11  12 1
            5    12  13 1
            6    13  14 2
            7    25  26 2
            8    26  27 1
            9    27  28 2
            10   28  29 1
            11   29  30 2
            12   30  25 1
            13   14   9 1
            14   29  31 1
            15    5   6 1
            16   18  32 1
            17    8  15 1
            18   32  33 1
            19    6   7 1
            20   33  34 1
            21    7  10 1
            22   34  35 2
            23    9   8 2
            24   34  36 1
            25    8   5 1
            26   32  37 1
            27    3   4 2
            28   37  38 1
            29   15  16 2
            30   38  39 2
            31   16  17 1
            32   38  40 1
            33   17  18 2
            34   26  41 1
            35   18  19 1
            36   41  42 1
            37   19  20 2
            38   41  43 1
            39   20  15 1
            40   42  44 1
            41    4   1 1
            42   44  45 1
            43   19  21 1
            44   44  46 2
            45   43  47 1
            46   21  22 1
            47   47  48 2
            48    1   6 2
            49   47  49 1
            50   22  23 1
            51    4  50 1
            52    5   2 2
            53    3  51 1
            54   23  24 1
            55   13  52 1
            56    2   3 1
            57   12  53 2

» Japanese version

DBGET integrated database retrieval system