KEGG   COMPOUND: C10242Help
Entry
C10242                      Compound                               

Name
Terminalin;
Gallagic acid
Formula
C28H10O16
Exact mass
601.9969
Mol weight
602.3694
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Others
  Tannins and galloyl derivatives
   Miscellaneous galloyl derivatives
    C10242  Terminalin
BRITE hierarchy
Other DBs
CAS: 155144-63-1
PubChem: 12428
ChEBI: 9454
KNApSAcK: C00002939
3DMET: B03667
NIKKAJI: J553.471B
LinkDB All DBs
KCF data Show

ATOM        44
            1   C8y C    26.6290  -18.5605
            2   C8y C    26.5707  -17.1628
            3   C8y C    25.3362  -19.2476
            4   C8y C    27.7704  -19.2709
            5   C8y C    27.7937  -16.4757
            6   C8y C    25.4353  -16.4466
            7   C8y C    25.3246  -20.6569
            8   C8y C    24.1367  -18.5372
            9   C8y C    27.7588  -20.6743
            10  O7x O    28.9875  -18.5838
            11  C8y C    27.7937  -15.0780
            12  C8y C    28.9992  -17.1745
            13  C8y C    25.3828  -15.0490
            14  O7x O    24.1541  -17.1338
            15  C8y C    24.1017  -21.3557
            16  C8y C    26.5357  -21.3674
            17  O6a O    24.1215  -20.0013
            18  O1a O    28.9699  -21.3907
            19  C8y C    29.0749  -14.4084
            20  C8y C    26.6057  -14.3618
            21  O6a O    29.0146  -15.8516
            22  O1a O    24.1774  -14.3326
            23  C8y C    24.0958  -22.7591
            24  C8y C    22.8904  -20.6510
            25  O7x O    26.5357  -22.7707
            26  C8y C    29.0399  -13.0225
            27  C8y C    30.1870  -15.1247
            28  O7x O    26.6290  -12.9759
            29  C8y C    25.3129  -23.4696
            30  C8x C    22.8904  -23.4637
            31  C8y C    21.6675  -21.3557
            32  O1a O    22.8963  -19.2417
            33  C8y C    27.8461  -12.3061
            34  C8x C    30.2453  -12.3586
            35  C8y C    31.4041  -14.4608
            36  O1a O    30.1483  -16.4535
            37  O6a O    25.3072  -24.8788
            38  C8y C    21.6675  -22.7591
            39  O1a O    20.4504  -20.6510
            40  O6a O    27.8753  -10.9027
            41  C8y C    31.4334  -13.0748
            42  O1a O    32.6096  -15.1887
            43  O1a O    20.4504  -23.4637
            44  O1a O    32.6678  -12.3993
BOND        51
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    7  16 2
            16    8  17 2
            17    9  18 1
            18   11  19 1
            19   11  20 2
            20   12  21 2
            21   13  22 1
            22   15  23 2
            23   15  24 1
            24   16  25 1
            25   19  26 2
            26   19  27 1
            27   20  28 1
            28   23  29 1
            29   23  30 1
            30   24  31 2
            31   24  32 1
            32   26  33 1
            33   26  34 1
            34   27  35 2
            35   27  36 1
            36   29  37 2
            37   30  38 2
            38   31  39 1
            39   33  40 2
            40   34  41 2
            41   35  42 1
            42   38  43 1
            43   41  44 1
            44    8  14 1
            45    9  16 1
            46   10  12 1
            47   13  20 1
            48   25  29 1
            49   28  33 1
            50   31  38 1
            51   35  41 1

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