KEGG   COMPOUND: C22123
Entry
C22123                      Compound                               

Name
Avenastenone
Formula
C29H46O
Exact mass
410.3549
Mol weight
410.6749
Structure
Reaction
Pathway
map00100  Steroid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00917  Phytosterol biosynthesis, squalene 2,3-epoxide => campesterol/sitosterol
Enzyme
1.1.1.270       1.1.1.418
Other DBs
PubChem: 405226315
KCF data

ATOM        30
            1   C1x C    12.6554  -18.2490
            2   C5x C    12.6554  -19.5775
            3   C1x C    13.8441  -20.2767
            4   C1x C    13.8441  -17.5498
            5   C1z C    15.0327  -18.2490
            6   C1y C    15.0327  -19.5775
            7   C1x C    16.2213  -20.2767
            8   C2x C    17.4100  -19.6474
            9   C1y C    16.2213  -17.5498
            10  C2y C    17.4100  -18.2490
            11  C1x C    17.4100  -15.5221
            12  C1x C    16.2213  -16.1514
            13  C1z C    18.5986  -16.2213
            14  C1y C    18.6685  -17.5498
            15  C1x C    20.9759  -17.5498
            16  C1x C    20.9759  -16.2213
            17  C1y C    19.7872  -15.5221
            18  C1c C    19.7872  -14.1937
            19  C1b C    20.9759  -13.4945
            20  C1b C    22.1645  -14.1937
            21  C2c C    23.3531  -13.4945
            22  C1c C    24.5418  -14.1237
            23  C1a C    25.7304  -13.4945
            24  C1a C    24.5418  -15.5221
            25  C2b C    23.3531  -12.0961
            26  C1a C    24.5418  -11.3969
            27  O5x O    11.4668  -20.2767
            28  C1a C    15.0327  -16.8506
            29  C1a C    18.5986  -14.8229
            30  C1a C    18.5986  -13.4945
BOND        33
            1     6   7 1
            2     7   8 1
            3    13  14 1
            4    15  16 1
            5    16  17 1
            6    17  13 1
            7    14  15 1
            8     8  10 2
            9    17  18 1
            10    9   5 1
            11   18  19 1
            12    5   4 1
            13   19  20 1
            14    4   1 1
            15   20  21 1
            16   21  22 1
            17    1   2 1
            18   22  23 1
            19    9  10 1
            20   22  24 1
            21   10  14 1
            22   21  25 2
            23   13  11 1
            24   25  26 1
            25   11  12 1
            26   12   9 1
            27    2  27 2 #Up
            28    2   3 1
            29    5  28 1 #Up
            30    3   6 1
            31   13  29 1 #Up
            32    5   6 1
            33   18  30 1 #Down

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