KEGG   COMPOUND: C22435
Entry
C22435                      Compound                               
Name
Deacetylcucurbitacin C
Formula
C30H46O7
Exact mass
518.3244
Mol weight
518.682
Structure
Reaction
Pathway
map00996  Biosynthesis of various alkaloids
map01110  Biosynthesis of secondary metabolites
Enzyme
2.3.1.-
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C22435  Deacetylcucurbitacin C
LinkDB
KCF data

ATOM        37
            1   C1x C    12.6887  -17.7885
            2   C1y C    12.6887  -19.1461
            3   C1z C    13.8645  -19.8250
            4   C2y C    15.0401  -19.1461
            5   C1y C    15.0401  -17.7885
            6   C1x C    13.8645  -17.1097
            7   C2x C    16.2160  -19.8250
            8   C1x C    17.3916  -19.1461
            9   C1y C    17.3916  -17.7885
            10  C1z C    16.2160  -17.1097
            11  C1z C    18.5675  -17.1097
            12  C1z C    18.5675  -15.7521
            13  C1x C    17.3916  -15.0733
            14  C5x C    16.2160  -15.7521
            15  C1y C    19.7632  -15.0615
            16  C1y C    20.9328  -15.7366
            17  C1d C    19.7630  -13.7158
            18  C5a C    20.9274  -13.0429
            19  C2b C    22.0818  -13.7091
            20  C2b C    23.2353  -13.0427
            21  C1d C    24.3898  -13.7090
            22  C1a C    25.5432  -13.0426
            23  C1a C    24.3902  -15.0730
            24  C1x C    20.9328  -17.0941
            25  C1a C    12.9045  -20.7850
            26  C1a C    14.8243  -20.7850
            27  C1a C    18.5760  -13.0310
            28  C1a C    18.5675  -18.4673
            29  O1a O    11.5129  -19.8250
            30  C1b C    14.8289  -16.1773
            31  C1a C    18.5675  -14.3946
            32  O1a O    13.2189  -16.1894
            33  O1a O    25.7356  -14.2088
            34  O1a O    19.7630  -11.9729
            35  O5a O    20.9271  -11.6456
            36  O1a O    22.1172  -15.2620
            37  O5x O    15.0208  -15.0619
BOND        40
            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 2
            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   12  15 1
            18   15  16 1
            19   15  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 1
            25   21  23 1
            26   16  24 1
            27   24  11 1
            28    3  25 1
            29    3  26 1
            30   17  27 1 #Down
            31   11  28 1 #Down
            32    2  29 1 #Up
            33   10  30 1 #Up
            34   12  31 1 #Up
            35   30  32 1
            36   21  33 1
            37   17  34 1 #Up
            38   18  35 2
            39   16  36 1 #Down
            40   14  37 2

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