KEGG   COMPOUND: C08466
Entry
C08466                      Compound                               
Name
Wyerone acid
Formula
C14H12O4
Exact mass
244.0736
Mol weight
244.2427
Structure
Other DBs
CAS: 54954-14-2
PubChem: 10659
ChEBI: 10046
KNApSAcK: C00001300
NIKKAJI: J2.766.038J
LinkDB
KCF data

ATOM        18
            1   C8y C    24.2079  -17.1498
            2   O2x O    23.0680  -16.3256
            3   C8x C    23.7755  -18.4886
            4   C5a C    25.4297  -16.4543
            5   C8y C    21.9282  -17.1498
            6   C8x C    22.3725  -18.4886
            7   C3b C    26.6457  -17.1498
            8   O5a O    25.4297  -15.0453
            9   C2b C    20.7123  -16.4543
            10  C3b C    27.8675  -17.8572
            11  C2b C    19.4963  -17.1498
            12  C2b C    29.0776  -18.5587
            13  C6a C    18.2805  -16.4543
            14  C2b C    30.3987  -18.5762
            15  O6a O    17.0645  -17.1498
            16  O6a O    18.2805  -15.0453
            17  C1b C    31.6145  -17.8806
            18  C1a C    32.8363  -18.5762
BOND        18
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 3
            10    9  11 2
            11   10  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 1
            18    5   6 2

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