KEGG   COMPOUND: C08995Help
Entry
C08995                      Compound                               

Name
Aurasperone D
Formula
C31H24O10
Exact mass
556.1369
Mol weight
556.5163
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   Naphthopyrones
    C08995  Aurasperone D
BRITE hierarchy
Other DBs
CAS: 67924-64-5
PubChem: 11187
ChEBI: 2925
KNApSAcK: C00002416
3DMET: B02595
NIKKAJI: J163.741J
KCF data Show

ATOM        41
            1   C8y C    21.8408  -19.8061
            2   C8x C    21.8408  -21.2079
            3   C8y C    23.0587  -21.9123
            4   C8x C    23.0587  -19.1087
            5   C8y C    24.2694  -19.8061
            6   C8y C    24.2633  -21.2079
            7   C8y C    25.4682  -21.9174
            8   C8y C    25.4802  -19.1140
            9   C8y C    26.6921  -19.8164
            10  C8y C    26.6794  -21.2144
            11  C8y C    27.8848  -21.9280
            12  C8x C    29.1028  -21.2363
            13  C8y C    29.1154  -19.8382
            14  O2x O    27.9099  -19.1319
            15  C8y C    25.4861  -17.7122
            16  O1a O    25.4655  -23.3191
            17  O1a O    23.0619  -23.3139
            18  O5x O    27.8722  -23.3296
            19  C8y C    26.7009  -17.0193
            20  C8x C    24.2843  -15.6073
            21  C8y C    24.2782  -17.0089
            22  C8y C    25.4950  -14.9151
            23  C8y C    26.7012  -15.6217
            24  C8y C    27.9199  -14.9364
            25  C8x C    25.5074  -13.5162
            26  C8y C    26.7259  -12.8239
            27  C8y C    27.9287  -13.5424
            28  C8y C    29.2199  -12.8555
            29  C8x C    29.1680  -11.4571
            30  C8y C    27.9652  -10.7456
            31  O2x O    26.7442  -11.4255
            32  O5x O    30.3554  -13.5755
            33  C1a C    27.9835   -9.3440
            34  O1a O    29.1293  -15.6428
            35  O2a O    27.9133  -17.7281
            36  O2a O    23.0622  -17.7112
            37  O2a O    20.6264  -19.1082
            38  C1a C    30.3365  -19.1518
            39  C1a C    21.8486  -17.0046
            40  C1a C    29.1307  -17.0282
            41  C1a C    19.4112  -19.8049
BOND        46
            1     4   1 2
            2    15  19 2
            3    19  23 1
            4    22  20 1
            5    20  21 2
            6    21  15 1
            7     1   2 1
            8     2   3 2
            9     3   6 1
            10   22  23 1
            11   23  24 2
            12   24  27 1
            13   26  25 1
            14   25  22 2
            15    9  10 2
            16   10  11 1
            17   11  12 1
            18   12  13 2
            19   13  14 1
            20   14   9 1
            21   26  27 2
            22   27  28 1
            23   28  29 1
            24   29  30 2
            25   30  31 1
            26   31  26 1
            27    5   6 1
            28   28  32 2
            29    8  15 1
            30   30  33 1
            31    6   7 2
            32   24  34 1
            33    7  16 1
            34   19  35 1
            35    7  10 1
            36   21  36 1
            37    3  17 1
            38    1  37 1
            39    9   8 1
            40   13  38 1
            41   11  18 2
            42   36  39 1
            43    8   5 2
            44   35  40 1
            45    5   4 1
            46   37  41 1

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