KEGG   COMPOUND: C09122
Entry
C09122                      Compound                               
Name
Kansuinine B
Formula
C38H42O14
Exact mass
722.2575
Mol weight
722.7317
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Others
    C09122  Kansuinine B
Other DBs
CAS: 57685-46-8
PubChem: 11314
ChEBI: 177455 6111
KNApSAcK: C00003448
3DMET: B02698
NIKKAJI: J31.881G
LinkDB
KCF data

ATOM        52
            1   C1z C    24.5406  -13.9927
            2   C1y C    23.7173  -15.1078
            3   C1y C    23.7465  -12.8659
            4   C5x C    25.5973  -13.1988
            5   O7a O    24.5230  -12.5973
            6   C1y C    24.0734  -16.4566
            7   C1y C    22.4094  -14.6583
            8   C1z C    22.4270  -13.2804
            9   O1a O    22.7539  -11.8793
            10  C1y C    25.2295  -11.8500
            11  O5x O    26.6542  -13.7535
            12  C7a C    24.1726  -11.2603
            13  C2y C    25.0075  -17.4842
            14  O7a O    22.7948  -17.1396
            15  O7a O    20.3668  -15.4581
            16  C1a C    21.2184  -13.9576
            17  O1a O    21.2184  -12.5797
            18  C1y C    26.4322  -11.1436
            19  C1a C    25.2236  -10.4604
            20  C1a C    22.8298  -10.6942
            21  O6a O    24.1669   -9.8707
            22  C1y C    26.3914  -17.4083
            23  C2a C    24.9959  -18.8795
            24  C7a C    22.8474  -18.5409
            25  C7a C    19.1640  -14.7634
            26  C1y C    27.4657  -12.3346
            27  O2x O    27.9736  -10.8341
            28  C1y C    27.1912  -16.2698
            29  O7a O    27.0803  -18.5993
            30  C8y C    21.6271  -19.2241
            31  O6a O    24.0501  -19.2474
            32  C1a C    17.9554  -15.4581
            33  O6a O    19.1640  -13.3738
            34  C1z C    27.4714  -13.7242
            35  C5x C    26.7942  -14.9327
            36  O1a O    28.5224  -16.6259
            37  C7a C    28.2772  -19.2942
            38  C8x C    20.4126  -18.5234
            39  C8x C    21.6329  -20.6253
            40  C1a C    28.8610  -13.7242
            41  C1a C    28.4640  -14.7050
            42  O5x O    25.4396  -15.2947
            43  C8y C    29.4741  -18.5876
            44  O6a O    28.2713  -20.6837
            45  C8x C    19.2040  -19.2298
            46  C8x C    20.4185  -21.3260
            47  C8x C    30.6825  -19.2882
            48  C8x C    29.4741  -17.1980
            49  C8x C    19.2040  -20.6253
            50  C8x C    31.8911  -18.5935
            51  C8x C    30.6825  -16.4974
            52  C8x C    31.8911  -17.1980
BOND        56
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    4  11 2
            11    5  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1 #Up
            15    8  16 1 #Up
            16    8  17 1 #Down
            17   10  18 1
            18   10  19 1 #Up
            19   12  20 1
            20   12  21 2
            21   13  22 1
            22   13  23 2
            23   14  24 1
            24   15  25 1
            25   18  26 1
            26   18  27 1
            27   22  28 1
            28   22  29 1 #Up
            29   24  30 1
            30   24  31 2
            31   25  32 1
            32   25  33 2
            33   26  34 1
            34   28  35 1
            35   28  36 1 #Down
            36   29  37 1
            37   30  38 2
            38   30  39 1
            39   34  40 1
            40   34  41 1
            41   35  42 2
            42   37  43 1
            43   37  44 2
            44   38  45 1
            45   39  46 2
            46   43  47 1
            47   43  48 2
            48   45  49 2
            49   47  50 2
            50   48  51 1
            51   50  52 1
            52    7   8 1
            53   26  27 1
            54   34  35 1
            55   46  49 1
            56   51  52 2

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