KEGG   COMPOUND: C09120
Entry
C09120                      Compound                               
Name
Jatrophone
Formula
C20H24O3
Exact mass
312.1725
Mol weight
312.4028
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Mesotricyclic diterpenoids
    C09120  Jatrophone
Other DBs
CAS: 29444-03-9
PubChem: 11312
ChEBI: 6086
KNApSAcK: C00003446
3DMET: B02697
NIKKAJI: J17.243J
LinkDB
KCF data

ATOM        23
            1   C1z C    24.4371  -14.6147
            2   C1x C    23.2325  -13.9222
            3   C1y C    22.2016  -14.8539
            4   C2x C    22.7693  -16.1220
            5   C2y C    24.1507  -15.9743
            6   O2x O    25.7318  -15.1437
            7   C2y C    26.6333  -14.0816
            8   C2y C    25.8974  -12.8937
            9   C5x C    24.5406  -13.2278
            10  C1a C    26.4236  -11.6038
            11  O5x O    23.4768  -12.3283
            12  C2x C    23.7811  -17.3167
            13  C2y C    24.7661  -18.3018
            14  C5x C    26.1591  -18.3018
            15  C2x C    26.8487  -17.0916
            16  C1x C    28.0237  -14.0804
            17  O5x O    26.8592  -19.5063
            18  C1a C    24.4003  -19.6456
            19  C1z C    28.7131  -15.2835
            20  C2x C    28.3474  -16.6273
            21  C1a C    29.9870  -15.8523
            22  C1a C    29.8382  -14.3615
            23  C1a C    20.8472  -14.4814
BOND        25
            1     9  11 2
            2     5  12 1
            3     1   2 1
            4    12  13 2
            5     2   3 1
            6    13  14 1
            7     3   4 1
            8    14  15 1
            9     6   7 1
            10    7  16 1
            11    7   8 2
            12   14  17 2
            13    8   9 1
            14   13  18 1
            15    9   1 1
            16   16  19 1
            17    1   6 1 #Up
            18   19  20 1
            19   15  20 2
            20    4   5 2
            21   19  21 1
            22    8  10 1
            23   19  22 1
            24    5   1 1
            25    3  23 1 #Down

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