KEGG   COMPOUND: C10309
Entry
C10309                      Compound                               
Name
Cercosporin
Formula
C29H26O10
Exact mass
534.1526
Mol weight
534.5107
Structure
Other DBs
CAS: 35082-49-6
PubChem: 12495
ChEBI: 3556
KNApSAcK: C00002801
3DMET: B03729
NIKKAJI: J18.014I J423.406E
LinkDB
KCF data

ATOM        39
            1   C8y C    27.3698  -18.1414
            2   C8y C    28.5775  -18.8358
            3   C8y C    26.1563  -18.8298
            4   C8y C    27.3757  -16.7353
            5   C8y C    28.5718  -20.2302
            6   C2y C    29.8027  -18.1530
            7   C8y C    26.1620  -20.2302
            8   C8y C    24.9485  -18.1414
            9   C5x C    28.5950  -16.0352
            10  C8y C    26.1620  -16.0352
            11  C8y C    27.3640  -20.9244
            12  C2y C    29.7736  -20.9303
            13  C2y C    29.8086  -16.7470
            14  C1b C    31.0047  -18.8415
            15  C8y C    24.9659  -20.9244
            16  C8x C    24.9485  -16.7353
            17  O2x O    23.6590  -18.1531
            18  O5x O    28.5309  -14.6349
            19  O1a O    26.1620  -14.6289
            20  C8y C    27.3640  -22.3130
            21  C2y C    29.7736  -22.3247
            22  C1b C    30.9930  -20.2302
            23  O2a O    31.0221  -16.0468
            24  C1c C    32.2182  -18.1414
            25  C8x C    24.9659  -22.3130
            26  O2x O    23.8166  -20.9010
            27  C1x C    22.8014  -19.4950
            28  C5x C    28.5659  -23.0132
            29  C8y C    26.1563  -23.0015
            30  O2a O    30.9871  -23.0248
            31  C1c C    32.2065  -20.9420
            32  C1a C    31.0164  -14.6465
            33  C1a C    33.4319  -18.8298
            34  O1a O    32.2182  -16.7353
            35  O5x O    28.5601  -24.4135
            36  O1a O    26.1563  -24.4077
            37  C1a C    30.9814  -24.4311
            38  C1a C    33.4202  -20.2302
            39  O1a O    32.2125  -22.3423
BOND        44
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 2
            15    8  16 1
            16    8  17 1
            17    9  18 2
            18   10  19 1
            19   11  20 2
            20   12  21 2
            21   12  22 1
            22   13  23 1
            23   14  24 1
            24   15  25 1
            25   15  26 1
            26   17  27 1
            27   20  28 1
            28   20  29 1
            29   21  30 1
            30   22  31 1
            31   23  32 1
            32   24  33 1
            33   24  34 1 #Up
            34   28  35 2
            35   29  36 1
            36   30  37 1
            37   31  38 1
            38   31  39 1 #Down
            39    7  11 1
            40    9  13 1
            41   10  16 2
            42   21  28 1
            43   25  29 2
            44   26  27 1

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