KEGG   COMPOUND: C09119
Entry
C09119                      Compound                               
Name
Jatrophatrione
Formula
C20H26O3
Exact mass
314.1882
Mol weight
314.4186
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Mesotricyclic diterpenoids
    C09119  Jatrophatrione
Other DBs
CAS: 58298-76-3
PubChem: 11311
ChEBI: 6085
KNApSAcK: C00003445
3DMET: B02696
NIKKAJI: J31.905H
LinkDB
KCF data

ATOM        23
            1   C1z C    26.6533  -14.2377
            2   C1y C    27.6464  -15.2189
            3   C5x C    25.2399  -14.2260
            4   C5x C    27.2726  -12.9935
            5   C1a C    25.6429  -13.2271
            6   C1z C    28.8730  -14.5705
            7   C1x C    28.0027  -16.5740
            8   C1y C    24.2470  -15.2132
            9   O5x O    24.4225  -12.8593
            10  C1x C    28.6452  -13.1979
            11  O5x O    26.6301  -11.7436
            12  C1a C    30.2281  -14.2026
            13  C1a C    29.5680  -15.7796
            14  C5x C    27.2900  -17.7772
            15  C2y C    23.8906  -16.5566
            16  C1x C    23.0787  -14.4538
            17  C2y C    25.9292  -18.1453
            18  O5x O    28.1429  -18.8987
            19  C2x C    22.4946  -16.6325
            20  C2x C    24.5741  -17.7772
            21  C1y C    21.9982  -15.3299
            22  C1a C    25.9292  -19.5472
            23  C1a C    20.6431  -14.9620
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 2
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   21  23 1 #Down
            23    6  10 1
            24   17  20 2
            25   19  21 1

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