KEGG   COMPOUND: C20073
Entry
C20073                      Compound                               
Name
Xestoquinone;
(+)-Xestoquinone;
XQN
Formula
C20H14O4
Exact mass
318.0892
Mol weight
318.32
Structure
Other DBs
CAS: 97743-96-9
PubChem: 135626536
KNApSAcK: C00040699
LinkDB
KCF data

ATOM        24
            1   C2x C    14.2100  -19.3900
            2   C2x C    14.2100  -20.7900
            3   C5x C    15.4224  -21.4900
            4   C8y C    16.6349  -20.7900
            5   C8y C    16.6349  -19.3900
            6   C5x C    15.4224  -18.6900
            7   C8x C    17.8473  -21.4900
            8   C8y C    19.0597  -20.7900
            9   C8y C    19.0597  -19.3900
            10  C8x C    17.8473  -18.6900
            11  C5x C    20.2722  -21.4900
            12  C8y C    21.4846  -20.7900
            13  C8y C    21.4846  -19.3900
            14  C1z C    20.2722  -18.6900
            15  C8y C    22.6970  -18.6900
            16  C1x C    22.6971  -17.2900
            17  C1x C    21.4847  -16.5900
            18  C1x C    20.2722  -17.2900
            19  O2x O    23.9095  -20.7900
            20  C8x C    23.9095  -19.3900
            21  O5x O    20.2722  -22.8897
            22  O5x O    15.4224  -22.8898
            23  O5x O    15.4224  -17.2902
            24  C1a C    19.2823  -17.7001
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 1
            17   13  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   14  18 1
            22   12  19 1
            23   19  20 1
            24   20  15 2
            25   11  21 2
            26    3  22 2
            27    6  23 2
            28   14  24 1 #Up

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