KEGG   COMPOUND: C17847
Entry
C17847                      Compound                               
Name
Magnosalin
Formula
C24H32O6
Exact mass
416.2199
Mol weight
416.5073
Structure
Other DBs
PubChem: 103061381
ChEBI: 81363
KNApSAcK: C00000726
LinkDB
KCF data

ATOM        30
            1   C1y C    16.9400  -19.3900
            2   C1y C    16.9400  -20.7900
            3   C1y C    18.3400  -20.7900
            4   C1y C    18.3400  -19.3900
            5   C8y C    19.5300  -21.4900
            6   C8y C    19.5300  -22.8900
            7   C8x C    20.7200  -23.5900
            8   C8y C    21.9800  -22.8900
            9   C8y C    21.9800  -21.4900
            10  C8x C    20.7200  -20.7900
            11  C8y C    19.5300  -17.2900
            12  C8y C    19.5300  -18.6900
            13  C8x C    20.7200  -19.3900
            14  C8y C    21.9800  -18.6900
            15  C8y C    21.9800  -17.2900
            16  C8x C    20.7200  -16.5900
            17  O2a O    23.1700  -16.5900
            18  C1a C    24.4300  -17.2900
            19  O2a O    23.1700  -19.3900
            20  C1a C    24.4300  -18.6900
            21  O2a O    18.3400  -16.5900
            22  C1a C    17.1500  -17.2900
            23  O2a O    23.1700  -23.5900
            24  C1a C    24.4300  -22.8900
            25  O2a O    23.1700  -20.7900
            26  C1a C    24.4300  -21.4900
            27  O2a O    18.3400  -23.5900
            28  C1a C    17.1500  -22.8900
            29  C1a C    15.7500  -18.6900
            30  C1a C    15.7500  -21.4900
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    5  10 1
            11    3   5 1 #Down
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18    4  12 1 #Up
            19   15  17 1
            20   17  18 1
            21   14  19 1
            22   19  20 1
            23   11  21 1
            24   21  22 1
            25    8  23 1
            26   23  24 1
            27    9  25 1
            28   25  26 1
            29    6  27 1
            30   27  28 1
            31    1  29 1 #Up
            32    2  30 1 #Down

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