KEGG   COMPOUND: C16916
Entry
C16916                      Compound                               
Name
Arundoin
Formula
C31H52O
Exact mass
440.4018
Mol weight
440.74
Structure
Other DBs
PubChem: 96023409
ChEBI: 80794
NIKKAJI: J12.773F
LinkDB
KCF data

ATOM        32
            1   C1x C    22.2280  -19.1340
            2   C1y C    22.2280  -20.4970
            3   C1z C    23.4082  -21.1784
            4   C1y C    24.5885  -20.4970
            5   C1z C    24.5885  -19.1340
            6   C1x C    23.4082  -18.4526
            7   C1x C    25.7688  -21.1784
            8   C1x C    26.9491  -20.4970
            9   C1y C    26.9491  -19.1340
            10  C2y C    25.7688  -18.4526
            11  C1z C    28.1295  -18.4526
            12  C1z C    28.1295  -17.0897
            13  C1x C    26.9491  -16.4083
            14  C2x C    25.7688  -17.0897
            15  C1x C    29.3097  -19.1340
            16  C1x C    30.4900  -18.4526
            17  C1z C    30.5581  -17.0216
            18  C1y C    29.3097  -16.3400
            19  C1x C    29.3131  -14.9092
            20  C1y C    31.7437  -16.2720
            21  C1x C    31.7437  -14.9092
            22  C1c C    32.9240  -16.9535
            23  C1a C    34.1063  -16.2708
            24  C1a C    32.9240  -18.3163
            25  C1a C    29.9981  -15.6586
            26  C1a C    28.1295  -19.8155
            27  C1a C    28.1295  -15.7268
            28  C1a C    24.5885  -17.7711
            29  O2a O    21.0477  -21.1784
            30  C1a C    22.7268  -22.6382
            31  C1a C    24.0899  -22.6382
            32  C1a C    19.7312  -20.8257
BOND        36
            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 2
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  18 1
            21   20  21 1
            22   19  21 1
            23   17  20 1
            24   19  18 1
            25   17  18 1
            26   20  22 1 #Down
            27   22  23 1
            28   22  24 1
            29   17  25 1 #Down
            30   11  26 1 #Up
            31   12  27 1 #Down
            32    5  28 1 #Up
            33    2  29 1 #Up
            34    3  30 1
            35    3  31 1
            36   29  32 1

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