KEGG   COMPOUND: C08916
Entry
C08916                      Compound                               
Name
Tokoronin
Formula
C32H52O9
Exact mass
580.3611
Mol weight
580.7499
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C08916  Tokoronin
Other DBs
CAS: 27530-69-4
PubChem: 11108
ChEBI: 9612
KNApSAcK: C00003595
3DMET: B02522
NIKKAJI: J2.552.642B
LinkDB
KCF data

ATOM        41
            1   C1z C    23.1902  -20.0866
            2   C1y C    24.3727  -19.4108
            3   C1y C    22.0136  -19.4108
            4   C1y C    23.1845  -21.4438
            5   C1a C    23.1728  -18.7235
            6   C1y C    25.5321  -20.0982
            7   C1x C    24.3787  -18.0535
            8   O2a O    22.0020  -18.0418
            9   C1y C    20.8311  -20.0866
            10  C1x C    24.3553  -22.1311
            11  C1x C    22.0136  -22.1254
            12  C1y C    26.7087  -19.4282
            13  C1x C    25.5321  -21.4554
            14  C1x C    25.5553  -17.3894
            15  C1y C    21.9903  -16.6437
            16  C1y C    20.8311  -21.4438
            17  O1a O    19.6602  -19.4049
            18  C1z C    26.7261  -18.0711
            19  C1x C    29.0505  -19.4516
            20  C1y C    20.8252  -15.9680
            21  O2x O    23.1671  -15.9680
            22  O1a O    19.6602  -22.1254
            23  C1y C    27.9088  -17.4127
            24  C1a C    26.7146  -16.7137
            25  C1y C    29.0154  -18.1001
            26  C1y C    20.8252  -14.6108
            27  O1a O    19.6195  -16.6613
            28  C1x C    23.1786  -14.6166
            29  C1y C    27.9088  -16.0554
            30  O2x O    30.2505  -17.4185
            31  C1y C    22.0020  -13.9351
            32  O1a O    19.6427  -13.9234
            33  C1z C    30.2505  -16.0554
            34  C1a C    26.9476  -15.0884
            35  O1a O    22.0077  -12.5720
            36  C1x C    31.4271  -16.7311
            37  O2x O    30.2505  -14.6923
            38  C1x C    32.6039  -16.0613
            39  C1x C    31.4271  -14.0224
            40  C1y C    32.6039  -14.6982
            41  C1a C    33.7864  -14.0224
BOND        47
            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 #Up
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14   15   8 1 #Up
            15    9  16 1
            16    9  17 1 #Up
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20   15  21 1
            21   16  22 1 #Down
            22   18  23 1
            23   18  24 1 #Up
            24   19  25 1
            25   20  26 1
            26   20  27 1 #Down
            27   21  28 1
            28   23  29 1
            29   25  30 1
            30   26  31 1
            31   26  32 1 #Up
            32   29  33 1
            33   29  34 1 #Down
            34   31  35 1 #Up
            35   33  36 1
            36   33  37 1 #Down
            37   36  38 1
            38   37  39 1
            39   38  40 1
            40   40  41 1 #Down
            41   10  13 1
            42   11  16 1
            43   14  18 1
            44   23  25 1
            45   28  31 1
            46   30  33 1
            47   39  40 1

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