KEGG   COMPOUND: C10693Help
Entry
C10693                      Compound                               

Name
Filicin;
Filixic acid BBB
Formula
C36H44O12
Exact mass
668.2833
Mol weight
668.7274
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 4482-83-1
PubChem: 12876
ChEBI: 5060
KNApSAcK: C00002696
3DMET: B04067
NIKKAJI: J53.974K
LinkDB All DBs
KCF data Show

ATOM        48
            1   C2y C    32.4739  -20.2025
            2   C2y C    32.4739  -21.5372
            3   C5x C    33.6313  -22.2009
            4   C2y C    34.7814  -21.5372
            5   C2y C    34.7814  -20.2025
            6   C1z C    33.6313  -19.5387
            7   O5x O    33.6330  -23.5286
            8   C5a C    35.9293  -22.2000
            9   C1b C    37.0831  -21.5353
            10  C1b C    38.2381  -22.1982
            11  C1a C    39.3919  -21.5335
            12  O5a O    35.9303  -23.5276
            13  O1a O    35.9293  -19.5395
            14  O1a O    31.3199  -19.5380
            15  C1a C    32.5454  -18.1900
            16  C1a C    34.5704  -18.1215
            17  C1b C    30.8327  -22.3922
            18  C8y C    26.8387  -20.1883
            19  C8y C    26.8387  -21.5230
            20  C8y C    27.9961  -22.1868
            21  C8y C    29.1462  -21.5230
            22  C8y C    29.1462  -20.1883
            23  C8y C    27.9961  -19.5246
            24  C5a C    27.9978  -18.1969
            25  O5a O    26.8443  -17.5246
            26  C1b C    29.1531  -17.5277
            27  C1b C    29.1548  -16.2001
            28  C1a C    30.3102  -15.5378
            29  O1a O    30.3012  -19.5255
            30  O1a O    25.6917  -19.5240
            31  O1a O    27.9978  -23.5215
            32  C1b C    25.2468  -22.4629
            33  C2y C    21.2671  -20.1742
            34  C2y C    21.2671  -21.5089
            35  C5x C    22.4244  -22.1728
            36  C2y C    23.5745  -21.5089
            37  C2y C    23.5745  -20.1742
            38  C1z C    22.4244  -19.5104
            39  O5x O    22.4261  -23.5074
            40  C5a C    20.1200  -22.1733
            41  C1b C    18.9653  -21.5101
            42  O5a O    20.1209  -23.5079
            43  C1b C    17.8114  -22.1746
            44  C1a C    16.6565  -21.5114
            45  O1a O    20.1200  -19.5099
            46  O1a O    24.7295  -19.5114
            47  C1a C    21.4021  -18.2959
            48  C1a C    23.2930  -18.2274
BOND        50
            1    23  24 1
            2     8  12 2
            3    24  25 2
            4     6   1 1
            5    24  26 1
            6     5  13 1
            7    26  27 1
            8    27  28 1
            9     1  14 1
            10   22  29 1
            11    3   7 2
            12   18  30 1
            13    6  15 1
            14   20  31 1
            15    1   2 2
            16   19  32 1
            17    6  16 1
            18    4   8 1
            19    2  17 1
            20    2   3 1
            21    8   9 1
            22    3   4 1
            23   33  34 2
            24   34  35 1
            25   35  36 1
            26   36  37 2
            27   37  38 1
            28   38  33 1
            29    9  10 1
            30   35  39 2
            31    4   5 2
            32   34  40 1
            33   10  11 1
            34   40  41 1
            35   18  19 2
            36   40  42 2
            37   19  20 1
            38   41  43 1
            39   20  21 2
            40   43  44 1
            41   21  22 1
            42   33  45 1
            43   22  23 2
            44   37  46 1
            45   23  18 1
            46   38  47 1
            47    5   6 1
            48   38  48 1
            49   36  32 1
            50   21  17 1

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