KEGG   COMPOUND: C21853
Entry
C21853                      Compound                               
Name
3-Bromo-4,5-dihydroxybenzoate
Formula
C7H5BrO4
Exact mass
231.9371
Mol weight
233.0162
Structure
Reaction
R12019 R12020
Enzyme
1.14.19.55
LinkDB
KCF data

ATOM        12
            1   C8y C    18.7064  -15.1337
            2   C8x C    19.8975  -15.8343
            3   C8x C    17.4452  -15.8343
            4   C6a C    18.7064  -13.7324
            5   C8y C    19.8975  -17.2356
            6   C8y C    17.4452  -17.2356
            7   O6a O    17.5153  -13.0318
            8   O6a O    19.8975  -13.0318
            9   C8y C    18.7064  -17.9363
            10  X   Br   21.0886  -17.9363
            11  O1a O    18.7064  -19.3376
            12  O1a O    16.2328  -17.9356
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    9  11 1
            11    6   9 1
            12    6  12 1

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