KEGG   COMPOUND: C04524Help
Entry
C04524                      Compound                               

Name
2-Protocatechoylphloroglucinolcarboxylate;
2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate
Formula
C14H10O8
Exact mass
306.0376
Mol weight
306.2244
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
PubChem: 7135
ChEBI: 16068
ChEMBL: CHEMBL502023
3DMET: B00727
NIKKAJI: J1.179.476I
KCF data Show

ATOM        22
            1   C8y C    30.6330  -15.9173
            2   C8x C    31.8449  -16.6149
            3   C8y C    33.0584  -15.9202
            4   C8y C    33.0601  -14.5209
            5   C8x C    31.8482  -13.8162
            6   C8x C    30.6347  -14.5180
            7   C8y C    24.5805  -16.6218
            8   C8x C    24.5805  -18.0240
            9   C8y C    25.7987  -18.7286
            10  C8y C    27.0098  -18.0240
            11  C8y C    27.0098  -16.6218
            12  C8x C    25.7987  -15.9242
            13  O7a O    28.2162  -15.9242
            14  C7a C    29.4210  -16.6149
            15  O6a O    29.4241  -17.6669
            16  C6a C    28.2162  -18.7286
            17  O1a O    25.8554  -20.1307
            18  O1a O    23.3657  -15.9237
            19  O1a O    34.2761  -13.8177
            20  O6a O    29.6184  -18.7286
            21  O6a O    28.2093  -20.1307
            22  O1a O    34.2648  -16.6206
BOND        23
            1    10  11 1
            2    11  12 2
            3    12   7 1
            4     6   1 2
            5    11  13 1
            6    13  14 1
            7    14   1 1
            8     1   2 1
            9    14  15 2
            10    2   3 2
            11   10  16 1
            12    3   4 1
            13    9  17 1
            14    4   5 2
            15    7  18 1
            16    5   6 1
            17    7   8 2
            18    4  19 1
            19    8   9 1
            20   16  20 1
            21    9  10 2
            22   16  21 2
            23    3  22 1

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