KEGG   COMPOUND: C20218
Entry
C20218                      Compound                               
Name
Cannabielsoin;
Cannabielsoin A;
CBE
Formula
C21H30O3
Exact mass
330.2195
Mol weight
330.4611
Structure
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Others
   Cannabinoids
    C20218  Cannabielsoin
Other DBs
CAS: 52025-76-0
PubChem: 163311961
LinkDB
KCF data

ATOM        24
            1   C8y C    18.3400  -17.5000
            2   C8y C    18.3400  -18.9000
            3   C8x C    19.5524  -19.6000
            4   C8y C    20.7649  -18.9000
            5   C8x C    20.7649  -17.5000
            6   C8y C    19.5524  -16.8000
            7   C1b C    22.0024  -19.6000
            8   C1b C    23.2149  -18.9000
            9   C1b C    24.4273  -19.6000
            10  C1b C    25.6397  -18.9000
            11  C1a C    26.8522  -19.6000
            12  O1a O    17.1276  -19.6000
            13  O2x O    19.2614  -15.4306
            14  C1y C    17.8690  -15.2842
            15  C1y C    17.2996  -16.5632
            16  C1z C    17.0461  -14.1516
            17  C1x C    15.6538  -14.2980
            18  C1x C    15.0844  -15.5769
            19  C1y C    15.9073  -16.7096
            20  C2c C    15.3275  -18.0120
            21  C2a C    13.9401  -18.0179
            22  C1a C    15.7210  -19.4112
            23  C1a C    18.2586  -13.1716
            24  O1a O    16.6838  -12.7993
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    2  12 1
            13    6  13 1
            14   13  14 1
            15   14  15 1
            16    1  15 1
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   15  19 1
            22   19  20 1 #Down
            23   20  21 2
            24   20  22 1
            25   16  23 1 #Up
            26   16  24 1 #Down

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