KEGG   COMPOUND: C18226
Entry
C18226                      Compound                               

Name
ent-Cassa-12,15-diene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.69      1.14.14.112     4.2.3.28
Other DBs
PubChem: 103061408
ChEBI: 50060
KNApSAcK: C00033813
KCF data

ATOM        20
            1   C1x C    19.6394  -19.1106
            2   C1x C    19.6394  -20.4991
            3   C1z C    20.8417  -21.1932
            4   C1y C    22.0442  -20.4991
            5   C1z C    22.0442  -19.1106
            6   C1x C    20.8417  -18.4165
            7   C1x C    23.2465  -21.1932
            8   C1x C    24.4488  -20.4991
            9   C1y C    24.4488  -19.1106
            10  C1y C    23.2465  -18.4165
            11  C1y C    25.6512  -18.4165
            12  C2y C    25.6512  -17.0281
            13  C2x C    24.4488  -16.3339
            14  C1x C    23.2465  -17.0281
            15  C2b C    26.8741  -16.3218
            16  C2a C    28.0703  -17.0123
            17  C1a C    26.8536  -19.1106
            18  C1a C    22.0442  -17.7223
            19  C1a C    21.2041  -22.5455
            20  C1a C    19.8518  -22.1831
BOND        22
            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
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   10  14 1
            17   12  15 1
            18   15  16 2
            19   11  17 1 #Up
            20    5  18 1 #Down
            21    3  19 1
            22    3  20 1

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