KEGG   COMPOUND: C18348
Entry
C18348                      Compound                               

Name
2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Formula
C15H12O8
Exact mass
320.0532
Mol weight
320.251
Structure
Reaction
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Other DBs
PubChem: 124489022
ChEBI: 81694
KCF data

ATOM        23
            1   C8y C    25.9774  -19.2573
            2   C8y C    27.2378  -18.5570
            3   C8y C    24.7870  -18.5570
            4   C8x C    25.9774  -20.6577
            5   C8y C    28.4282  -19.2573
            6   C8x C    27.2378  -17.1565
            7   C8y C    23.5266  -19.2573
            8   O1a O    24.7870  -17.1565
            9   C8y C    24.7870  -21.4279
            10  C8y C    29.6186  -18.5570
            11  O1a O    28.4282  -20.5876
            12  C8y C    28.4282  -16.4563
            13  C8x C    23.5266  -20.6577
            14  C8x C    29.6186  -17.1565
            15  O2a O    22.3316  -18.5541
            16  C1a C    21.1203  -19.2403
            17  C6a C    24.8051  -22.8382
            18  O6a O    26.0233  -23.5209
            19  O6a O    23.5968  -23.5566
            20  O1a O    30.8495  -19.2611
            21  C6a C    28.4283  -15.0621
            22  O6a O    29.6525  -14.3553
            23  O6a O    27.2257  -14.3677
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   10  14 2
            14    9  13 2
            15   12  14 1
            16    7  15 1
            17   15  16 1
            18    9  17 1
            19   17  18 2
            20   17  19 1
            21   10  20 1
            22   12  21 1
            23   21  22 1
            24   21  23 2

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