KEGG   COMPOUND: C17966
Entry
C17966                      Compound                               
Name
Shionone;
Shionon
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.7174
Structure
Reaction
Enzyme
Other DBs
CAS: 10376-48-4
PubChem: 96024186
ChEBI: 63459
NIKKAJI: J9.810H
KCF data

ATOM        31
            1   C1x C    20.8853  -21.1830
            2   C5x C    20.8853  -22.5999
            3   C1y C    22.1124  -23.3084
            4   C1z C    23.3396  -22.5999
            5   C1y C    23.3396  -21.1830
            6   C1x C    22.1124  -20.4745
            7   C1x C    24.5667  -23.3084
            8   C1x C    25.7937  -22.5999
            9   C1y C    25.7937  -21.1830
            10  C1z C    24.5667  -20.4745
            11  C1z C    27.0208  -20.4745
            12  C1z C    27.0209  -19.0576
            13  C1x C    25.7938  -18.3491
            14  C1x C    24.5667  -19.0576
            15  C1x C    28.2480  -21.1830
            16  C1x C    29.4751  -20.4745
            17  C1z C    29.4751  -19.0576
            18  C1x C    28.2480  -18.3491
            19  C1b C    30.6893  -18.3566
            20  C1b C    31.8929  -19.0515
            21  C2b C    33.0977  -18.3559
            22  C2c C    34.3020  -19.0512
            23  O5x O    19.6582  -23.3084
            24  C1a C    22.1124  -24.7252
            25  C1a C    23.3396  -24.0169
            26  C1a C    24.5667  -21.4655
            27  C1a C    27.0208  -21.8915
            28  C1a C    27.0209  -17.6406
            29  C1a C    29.4751  -17.6406
            30  C1a C    35.5065  -18.3557
            31  C1a C    34.3021  -20.4743
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   17  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 2
            26    2  23 2
            27    3  24 1 #Up
            28    4  25 1 #Up
            29   10  26 1 #Up
            30   11  27 1 #Up
            31   12  28 1 #Down
            32   17  29 1 #Up
            33   22  30 1
            34   22  31 1

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