KEGG   COMPOUND: C01572Help
Entry
C01572                      Compound                               

Name
Digallate;
Digallic acid
Formula
C14H10O9
Exact mass
322.0325
Mol weight
322.2238
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Other DBs
CAS: 
536-08-3
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C8y C    15.3300  -16.5200
            2   C8y C    15.3300  -17.9200
            3   C8y C    16.5424  -18.6200
            4   C8x C    17.7549  -17.9200
            5   C8y C    17.7549  -16.5200
            6   C8x C    16.5424  -15.8200
            7   C7a C    18.9924  -15.8200
            8   O7a O    20.2049  -16.5200
            9   C8y C    21.4173  -15.8200
            10  O6a O    18.9986  -14.4203
            11  C8x C    22.6318  -16.5212
            12  C8y C    23.8442  -15.8212
            13  C8x C    23.8442  -14.4212
            14  C8y C    22.6297  -13.7200
            15  C8y C    21.4173  -14.4200
            16  O1a O    14.1176  -15.8200
            17  O1a O    14.1176  -18.6200
            18  O1a O    16.5424  -20.0198
            19  O1a O    20.2069  -13.7212
            20  O1a O    22.6297  -12.3201
            21  C6a C    25.0753  -16.5322
            22  O6a O    26.2815  -15.8359
            23  O6a O    25.0750  -17.9199
BOND        24
            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 1
            10    7  10 2
            11    9  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    9  15 1
            17    1  16 1
            18    2  17 1
            19    3  18 1
            20   15  19 1
            21   14  20 1
            22   12  21 1
            23   21  22 2
            24   21  23 1

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