KEGG   COMPOUND: C20191
Entry
C20191                      Compound                               
Name
alpha-seco-Amyrin;
8,14-Secoursa-7,13-diene-3beta-ol
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.72
Structure
Reaction
R09912
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
Enzyme
5.4.99.52
Other DBs
PubChem: 163311934
LinkDB
KCF data

ATOM        31
            1   C2y C    20.3081  -16.4622
            2   C2y C    21.5864  -15.0706
            3   C1y C    19.1051  -15.7531
            4   C2x C    20.3081  -17.8568
            5   C2y C    21.5342  -13.6818
            6   C1x C    22.7138  -15.7796
            7   C1z C    17.9023  -16.4505
            8   C1b C    19.1168  -13.6586
            9   C1x C    19.0935  -18.5483
            10  C1y C    22.7486  -13.0020
            11  C1b C    20.3313  -12.9788
            12  C1x C    23.9280  -15.0996
            13  C1y C    17.8964  -17.8451
            14  C1x C    16.6936  -15.7474
            15  C1a C    17.8848  -15.0501
            16  C1z C    23.9397  -13.7110
            17  C1y C    22.7661  -11.6132
            18  C1z C    16.6936  -18.5424
            19  C1x C    15.4792  -16.4505
            20  C1x C    25.2240  -13.0369
            21  C1a C    25.1426  -14.4083
            22  C1y C    23.9805  -10.9333
            23  C1y C    15.4792  -17.8451
            24  C1a C    17.1816  -20.0299
            25  C1a C    15.9789  -19.7511
            26  C1x C    25.1718  -11.6480
            27  O1a O    14.2648  -18.5367
            28  C1a C    23.9805   -9.5333
            29  C1a C    21.5540  -10.8923
            30  C1a C    20.1864  -15.0706
            31  C1a C    21.7081  -16.4622
BOND        34
            1     1   3 1
            2     1   4 2
            3     2   5 2
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     4   9 1
            8     5  10 1
            9     5  11 1
            10    6  12 1
            11    7  13 1
            12    7  14 1
            13    7  15 1 #Up
            14   10  16 1
            15   10  17 1
            16   13  18 1
            17   14  19 1
            18   16  20 1
            19   16  21 1 #Up
            20   17  22 1
            21   18  23 1
            22   18  24 1
            23   18  25 1
            24   20  26 1
            25   23  27 1 #Up
            26    8  11 1
            27    9  13 1
            28   12  16 1
            29   19  23 1
            30   22  26 1
            31   22  28 1 #Down
            32   17  29 1 #Up
            33    2  30 1
            34    1  31 1

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