KEGG   COMPOUND: C10834Help
Entry
C10834                      Compound                               

Name
Theogallin
Formula
C14H16O10
Exact mass
344.0743
Mol weight
344.2708
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 17365-11-6
PubChem: 13017
ChEBI: 9522
ChEMBL: CHEMBL3233512
KNApSAcK: C00002676
3DMET: B04168
NIKKAJI: J93.943I
LinkDB All DBs
KCF data Show

ATOM        24
            1   O7a O    28.5398  -18.8159
            2   C7a C    29.9607  -19.5987
            3   C8y C    29.9551  -20.9900
            4   O6a O    31.1676  -18.9115
            5   C8x C    28.7443  -21.6741
            6   C8y C    28.7457  -23.0654
            7   C8y C    29.9468  -23.7626
            8   C8y C    31.1537  -23.0754
            9   C8x C    31.1595  -21.6840
            10  O1a O    23.7261  -18.7985
            11  C1z C    26.1377  -16.0260
            12  C1x C    24.9306  -16.7132
            13  C1y C    24.9264  -18.1072
            14  C1y C    26.1256  -18.8076
            15  C1y C    27.3395  -18.1133
            16  C1x C    27.3473  -16.7256
            17  C6a C    26.1440  -14.6347
            18  O1a O    26.1209  -20.1989
            19  O1a O    24.9042  -15.4273
            20  O1a O    27.5319  -23.7526
            21  O1a O    29.9412  -25.1539
            22  O1a O    32.3548  -23.7724
            23  O6a O    24.9361  -13.9301
            24  O6a O    27.3581  -13.9409
BOND        25
            1     9   3 1
            2    14  18 1 #Down
            3    13  10 1 #Down
            4     2   3 1
            5    11  19 1 #Down
            6     1   2 1
            7     2   4 2
            8     6  20 1
            9     7  21 1
            10    3   5 2
            11    8  22 1
            12    5   6 1
            13    6   7 2
            14    7   8 1
            15   11  12 1
            16   12  13 1
            17   13  14 1
            18   14  15 1
            19   15  16 1
            20   16  11 1
            21   15   1 1 #Up
            22    8   9 2
            23   17  23 2
            24   11  17 1 #Up
            25   17  24 1

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