KEGG   COMPOUND: C19423Help
Entry
C19423                      Compound                               

Name
Fast green FCF
Formula
C37H35N2O10S3. 2Na
Exact mass
809.1249
Mol weight
809.8557
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19423  Fast Green FCF
BRITE hierarchy
Other DBs
CAS: 
2353-45-9
PubChem: 
LinkDB All DBs
KCF data Show

ATOM        54
            1   C8x C    16.3100  -22.6100
            2   C8y C    16.3100  -24.0100
            3   C8x C    17.5224  -24.7100
            4   C8x C    18.7349  -24.0100
            5   C8y C    18.7349  -22.6100
            6   C8x C    17.5224  -21.9100
            7   C2c C    19.9724  -21.9100
            8   C8y C    21.1849  -22.6100
            9   C8x C    21.1849  -24.0098
            10  C8x C    22.3973  -24.7098
            11  C8y C    23.6097  -24.0098
            12  C8x C    23.6097  -22.6100
            13  C8y C    22.3973  -21.9100
            14  C2y C    19.9724  -20.5100
            15  N1c N    15.0976  -24.7100
            16  C1b C    13.9021  -24.0196
            17  C8y C    12.7147  -24.7051
            18  C8x C    11.5235  -24.0171
            19  C8x C    10.3110  -24.7169
            20  C8x C    10.3108  -26.1169
            21  C8y C    11.5020  -26.8049
            22  C8x C    12.7145  -26.1051
            23  S4a S    11.5020  -28.2049
            24  O1d O    11.5020  -29.6049 #-
            25  O1d O    12.8800  -28.2050
            26  O1d O    10.0800  -28.2048
            27  C1b C    15.0975  -26.1098
            28  O1a O    24.8074  -24.7014
            29  C2x C    21.1679  -19.8196
            30  C2x C    21.1678  -18.4196
            31  C2y C    19.9553  -17.7197
            32  C2x C    18.7598  -18.4101
            33  C2x C    18.7599  -19.8101
            34  N2b N    19.9553  -16.3197 #+
            35  C1b C    21.1679  -15.6196
            36  C1b C    18.7347  -15.6151
            37  C1a C    17.5435  -16.3030
            38  C8y C    22.3552  -16.3052
            39  C8x C    22.3552  -17.7098
            40  C8x C    23.5676  -18.4098
            41  C8x C    24.7800  -17.7098
            42  C8y C    24.7801  -16.3053
            43  C8x C    23.5676  -15.6052
            44  S4a S    25.9904  -15.6065
            45  O1d O    27.2029  -14.9065 #-
            46  O1d O    26.6866  -16.8127
            47  O1d O    25.2870  -14.3879
            48  S4a S    22.3973  -20.6500
            49  O1d O    22.3973  -19.2500
            50  O1d O    21.2773  -20.6500
            51  O1d O    23.7973  -20.6500
            52  C1a C    16.3268  -26.8197
            53  Z   Na   28.9100  -15.0500 #+
            54  Z   Na   11.1300  -31.0100 #+
BOND        56
            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     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    7  14 2
            16    2  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   21  23 1
            26   23  24 1
            27   23  25 2
            28   23  26 2
            29   15  27 1
            30   11  28 1
            31   14  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 1
            35   32  33 2
            36   14  33 1
            37   31  34 2
            38   34  35 1
            39   34  36 1
            40   36  37 1
            41   35  38 1
            42   38  39 2
            43   39  40 1
            44   40  41 2
            45   41  42 1
            46   42  43 2
            47   38  43 1
            48   42  44 1
            49   44  45 1
            50   44  46 2
            51   44  47 2
            52   13  48 1
            53   48  49 1
            54   48  50 2
            55   48  51 2
            56   27  52 1

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