KEGG   COMPOUND: C20187
Entry
C20187                      Compound                               
Name
Achilleol B
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.72
Structure
Reaction
R09908
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
Enzyme
5.4.99.48
Other DBs
PubChem: 163311930
LinkDB
KCF data

ATOM        31
            1   C1x C    11.8781  -15.0488
            2   C1y C    11.8781  -16.4545
            3   C1z C    13.0729  -17.1574
            4   C1y C    14.3380  -16.4545
            5   C2y C    14.3380  -15.0488
            6   C1x C    13.0729  -14.3460
            7   C1b C    15.5328  -17.1574
            8   C1b C    16.7277  -16.4545
            9   O1a O    10.6832  -17.1574
            10  C1a C    12.3701  -18.4225
            11  C1a C    13.7757  -18.4225
            12  C2c C    17.9225  -17.1574
            13  C2b C    19.1876  -16.4545
            14  C1b C    20.3825  -17.1574
            15  C1b C    21.5773  -16.4545
            16  C2y C    22.8424  -17.1574
            17  C1a C    17.9225  -18.5630
            18  C2y C    22.8424  -18.5630
            19  C1x C    24.0373  -19.2659
            20  C1x C    25.2321  -18.5630
            21  C1z C    25.2321  -17.1574
            22  C1y C    24.0373  -16.4545
            23  C1x C    26.4972  -16.4545
            24  C1x C    26.4972  -15.0488
            25  C1z C    25.2321  -14.3460
            26  C1x C    24.0373  -15.0488
            27  C1a C    24.5293  -13.1511
            28  C1a C    25.9349  -13.1511
            29  C1a C    26.4972  -17.8602
            30  C1a C    21.6222  -19.2610
            31  C2a C    15.5495  -14.3359
BOND        33
            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 1 #Up
            8     7   8 1
            9     2   9 1 #Up
            10    3  10 1
            11    3  11 1
            12    8  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   12  17 1
            18   18  16 2
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   16  22 1
            24   21  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   22  26 1
            29   25  27 1
            30   25  28 1
            31   21  29 1 #Up
            32   18  30 1
            33    5  31 2

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