KEGG   COMPOUND: C09110
Entry
C09110                      Compound                               
Name
Ineketone
Formula
C20H30O3
Exact mass
318.2195
Mol weight
318.4504
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Others
    C09110  Ineketone
Other DBs
CAS: 62574-18-9
PubChem: 11302
ChEBI: 5920
KNApSAcK: C00003437
3DMET: B02689
NIKKAJI: J18.274E
LinkDB
KCF data

ATOM        23
            1   C1z C    24.8113  -14.8791
            2   C1y C    23.6129  -15.5706
            3   C2y C    26.0041  -15.5820
            4   C1y C    24.7529  -13.4962
            5   C1a C    25.2840  -16.3311
            6   C1z C    23.6072  -16.9535
            7   C1x C    22.4144  -14.8733
            8   C5x C    26.0041  -16.9650
            9   C2x C    27.2027  -14.8963
            10  C1x C    26.0215  -12.8221
            11  O1a O    23.6301  -12.7990
            12  C1z C    22.4144  -17.6450
            13  C1x C    24.7998  -17.6506
            14  O1a O    23.5841  -18.1980
            15  C1x C    21.2102  -15.5706
            16  O5x O    27.2027  -17.6564
            17  C1z C    27.2142  -13.5192
            18  C1x C    21.2102  -16.9535
            19  C1a C    21.7056  -19.0509
            20  C1a C    23.1117  -19.1200
            21  C1a C    27.2084  -12.1306
            22  C2b C    28.4009  -12.8163
            23  C2a C    29.6025  -13.4919
BOND        25
            1     1   3 1
            2     1   4 1
            3     1   5 1 #Up
            4     2   6 1
            5     2   7 1
            6     3   8 1
            7     3   9 2
            8     4  10 1
            9     4  11 1 #Up
            10    6  12 1
            11    6  13 1
            12    6  14 1 #Up
            13    7  15 1
            14    8  16 2
            15    9  17 1
            16   12  18 1
            17   12  19 1
            18   12  20 1
            19   17  21 1 #Down
            20    8  13 1
            21   10  17 1
            22   15  18 1
            23   17  22 1 #Up
            24    1   2 1
            25   22  23 2

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