KEGG   COMPOUND: C21841
Entry
C21841                      Compound                               
Name
11-Oxocucurbitadienol;
3beta-Hydroxycucurbita-7,24-dien-11-one
Formula
C30H48O2
Exact mass
440.3654
Mol weight
440.7009
Structure
Reaction
Pathway
map00996  Biosynthesis of various alkaloids
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.71      1.14.14.-
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C21841  11-Oxocucurbitadienol
KCF data

ATOM        32
            1   C1x C    12.7774  -17.0600
            2   C1y C    12.7774  -18.4642
            3   C1z C    13.9708  -19.1662
            4   C2y C    15.1643  -18.4642
            5   C1y C    15.1643  -17.0600
            6   C1x C    13.9708  -16.3580
            7   C2x C    16.3578  -19.1662
            8   C1x C    17.5513  -18.4642
            9   C1y C    17.5513  -17.0600
            10  C1z C    16.3578  -16.3580
            11  C1z C    18.7447  -16.3580
            12  C1z C    18.7447  -15.0241
            13  C1x C    17.5513  -14.3221
            14  C5x C    16.3578  -15.0241
            15  C1y C    19.9383  -14.3221
            16  C1x C    21.1317  -15.0241
            17  C1c C    19.9383  -12.9881
            18  C1b C    21.1317  -12.2861
            19  C1b C    22.2550  -12.9180
            20  C2b C    23.4485  -12.2861
            21  C2c C    24.5718  -12.9180
            22  C1a C    25.7653  -12.2861
            23  C1a C    24.5718  -14.3221
            24  C1x C    21.1317  -16.3580
            25  C1a C    12.9880  -20.0789
            26  C1a C    14.9537  -20.0789
            27  C1a C    18.7447  -12.2861
            28  C1a C    18.7447  -17.7621
            29  O1a O    11.5838  -19.1662
            30  C1a C    15.8666  -17.6215
            31  C1a C    18.7447  -13.6200
            32  O5x O    15.1408  -14.3215
BOND        35
            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 1
            23   20  21 2
            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   14  32 2

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