KEGG   COMPOUND: C22120Help
Entry
C22120                      Compound                               

Name
4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol
Formula
C30H48O3
Exact mass
456.3603
Mol weight
456.7003
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00100  Steroid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.418       1.14.18.11
KCF data Show

ATOM        33
            1   C1x C    12.7144  -17.5332
            2   C1y C    12.7144  -18.8605
            3   C1y C    13.9021  -19.5591
            4   C1x C    13.9021  -16.8345
            5   C1z C    15.0896  -17.5332
            6   C1y C    15.0896  -18.8605
            7   C1x C    16.2772  -19.5591
            8   C2x C    17.4649  -18.9303
            9   C1y C    16.2772  -16.8345
            10  C2y C    17.4649  -17.5332
            11  C1x C    17.4649  -14.8087
            12  C1x C    16.2772  -15.4374
            13  C1z C    18.6524  -15.5072
            14  C1y C    18.6523  -16.9045
            15  C1x C    21.0277  -16.9045
            16  C1x C    21.0277  -15.5072
            17  C1y C    19.8400  -14.8087
            18  C1c C    19.8400  -13.4814
            19  C1b C    21.0277  -12.7828
            20  C1b C    22.2152  -13.4814
            21  C2c C    23.4028  -12.7828
            22  C1c C    24.5905  -13.4114
            23  C1a C    25.7780  -12.7828
            24  C1a C    24.5905  -14.8087
            25  C2b C    23.4028  -11.3857
            26  C1a C    24.5905  -10.6870
            27  O1a O    11.5268  -19.5591
            28  C1a C    15.0896  -16.1360
            29  C1a C    18.6524  -14.1101
            30  C1a C    18.6524  -12.7828
            31  C6a C    13.9021  -20.9579
            32  O6a O    15.1134  -21.6573
            33  O6a O    12.6906  -21.6573
BOND        36
            1     6   7 1
            2     7   8 1
            3    15  16 1
            4    16  17 1
            5    17  13 1
            6    14  15 1
            7     8  10 2
            8    17  18 1
            9     9   5 1
            10   18  19 1
            11    5   4 1
            12   19  20 1
            13    4   1 1
            14   20  21 1
            15   21  22 1
            16    1   2 1
            17   22  23 1
            18    9  10 1
            19   22  24 1
            20   10  14 1
            21   21  25 2
            22   13  11 1
            23   25  26 1
            24   11  12 1
            25   12   9 1
            26    2  27 1 #Up
            27    2   3 1
            28    5  28 1 #Up
            29    3   6 1
            30   13  29 1 #Up
            31    5   6 1
            32   18  30 1 #Down
            33    3  31 1 #Down
            34   31  32 2
            35   31  33 1
            36   14  13 1

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