KEGG   COMPOUND: C11363Help
Entry
C11363                      Compound                               

Name
Sulfobromophthalein
Formula
C20H10Br4O10S2
Exact mass
789.6449
Mol weight
794.0334
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Pathway
Bile secretion
Other DBs
CAS: 
297-83-6
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        36
            1   C8y C    10.7100  -21.1400
            2   C8y C    10.7100  -22.5400
            3   C8y C    11.9224  -23.2400
            4   C8y C    13.1349  -22.5400
            5   C8y C    13.1349  -21.1400
            6   C8y C    11.9224  -20.4400
            7   C7x C    14.4664  -22.9726
            8   O7x O    15.2893  -21.8400
            9   C1z C    14.4664  -20.7074
            10  X   Br   11.9224  -19.0402
            11  X   Br    9.4976  -20.4400
            12  X   Br    9.4976  -23.2400
            13  X   Br   11.9224  -24.6398
            14  C8y C    14.4664  -19.3074
            15  C8y C    15.8664  -20.7074
            16  O6a O    14.8975  -24.2994
            17  C8x C    15.6908  -18.6002
            18  C8y C    15.6906  -17.2002
            19  C8y C    14.4780  -16.5004
            20  C8x C    13.2536  -17.2076
            21  C8x C    13.2538  -18.6076
            22  C8x C    16.5775  -21.9396
            23  C8y C    17.9775  -21.9398
            24  C8y C    18.6777  -20.7275
            25  C8x C    17.9666  -19.4953
            26  C8x C    16.5666  -19.4951
            27  O1a O    14.4779  -15.1201
            28  S4a S    16.8864  -16.5097
            29  O1d O    18.0989  -15.8097
            30  O1d O    16.1868  -15.2980
            31  O1d O    17.5868  -17.7226
            32  O1a O    20.0900  -20.7278
            33  S4a S    18.6677  -23.1350
            34  O1d O    19.3677  -24.3475
            35  O1d O    19.8811  -22.4343
            36  O1d O    17.4574  -23.8339
BOND        39
            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    5   9 1
            11    6  10 1
            12    1  11 1
            13    2  12 1
            14    3  13 1
            15    9  14 1
            16    9  15 1
            17    7  16 2
            18   14  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   14  21 1
            24   15  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   15  26 1
            30   19  27 1
            31   18  28 1
            32   28  29 1
            33   28  30 2
            34   28  31 2
            35   24  32 1
            36   23  33 1
            37   33  34 1
            38   33  35 2
            39   33  36 2

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