KEGG   COMPOUND: C18222Help
Entry
C18222                      Compound                               

Name
Isopimaradienal
Formula
C20H30O
Exact mass
286.2297
Mol weight
286.4516
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
PubChem: 103061404
ChEBI: 52485
KCF data Show

ATOM        21
            1   C1x C    22.2600  -20.3000
            2   C1x C    22.2600  -21.7000
            3   C1z C    23.4724  -22.4000
            4   C1y C    24.6849  -21.7000
            5   C1z C    24.6849  -20.3000
            6   C1x C    23.4724  -19.6000
            7   C1x C    25.8973  -22.4000
            8   C2x C    27.1097  -21.7000
            9   C2y C    27.1097  -20.3000
            10  C1y C    25.8973  -19.6000
            11  C1x C    28.3222  -19.6000
            12  C1z C    28.3222  -18.2000
            13  C1x C    27.1097  -17.5000
            14  C1x C    25.8973  -18.2000
            15  C2b C    29.5346  -17.5000
            16  C2a C    30.7471  -18.2000
            17  C1a C    28.3222  -16.4500
            18  C1a C    22.6800  -24.0100
            19  C4a C    24.1147  -23.6823
            20  C1a C    24.6849  -18.7600
            21  O4a O    25.4762  -24.1826
BOND        23
            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 2
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   12  15 1 #Down
            18   15  16 2
            19   12  17 1 #Up
            20    3  18 1 #Up
            21    3  19 1 #Down
            22    5  20 1 #Up
            23   19  21 2

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