KEGG   COMPOUND: C19416
Entry
C19416                      Compound                               
Name
Eosin;
D & C Red no. 21
Formula
C20H8Br4O5
Exact mass
643.7105
Mol weight
647.8905
Structure
Other DBs
CAS: 15086-94-9
PubChem: 124490088
ChEBI: 39078
KCF data

ATOM        29
            1   C8y C    12.4600  -17.5000
            2   C8y C    12.4600  -18.9000
            3   C8x C    13.6724  -19.6000
            4   C8y C    14.8849  -18.9000
            5   C8y C    14.8849  -17.5000
            6   C8y C    13.6724  -16.8000
            7   C1z C    16.0973  -19.6000
            8   C8y C    17.3097  -18.9000
            9   C8y C    17.3097  -17.5000
            10  O2x O    16.0973  -16.8000
            11  C8x C    18.5222  -19.6000
            12  C8y C    19.7346  -18.9000
            13  C8y C    19.7346  -17.5000
            14  C8y C    18.5222  -16.8000
            15  C8y C    14.9664  -20.4216
            16  C8y C    15.3984  -21.7510
            17  C7x C    16.7962  -21.7510
            18  O7x O    17.2282  -20.4216
            19  C8x C    13.5970  -20.1305
            20  C8x C    12.6603  -21.1710
            21  C8x C    13.0922  -22.5004
            22  C8x C    14.4616  -22.7914
            23  O6a O    17.6295  -22.8978
            24  X   Br   18.5222  -15.4003
            25  X   Br   11.2476  -19.6000
            26  O1a O    11.2476  -16.8000
            27  X   Br   13.6724  -15.4002
            28  O1a O    20.9511  -16.7977
            29  X   Br   20.9511  -19.6023
BOND        33
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17    7  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21    7  18 1
            22   15  19 2
            23   19  20 1
            24   20  21 2
            25   21  22 1
            26   16  22 2
            27   17  23 2
            28   14  24 1
            29    2  25 1
            30    1  26 1
            31    6  27 1
            32   13  28 1
            33   12  29 1

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Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (2)   

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