KEGG   COMPOUND: C18226Help
Entry
C18226                      Compound                               

Name
ent-Cassa-12,15-diene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Mol fileKCF fileDB search
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 Show

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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