KEGG   COMPOUND: C08693Help
Entry
C08693                      Compound                               

Name
Karakoline;
Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)-
Formula
C22H35NO4
Exact mass
377.2566
Mol weight
377.5176
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08693  Karakoline
BRITE hierarchy
Other DBs
CAS: 39089-30-0
PubChem: 10886
ChEBI: 6113
KNApSAcK: C00001649
3DMET: B02335
NIKKAJI: J17.652D
KCF data Show

ATOM        27
            1   C1z C    26.1100  -18.5033
            2   C1y C    26.0926  -17.2667
            3   C1y C    26.9966  -17.7859
            4   C1y C    26.1100  -19.7400
            5   C1y C    25.0543  -17.8792
            6   C1y C    28.2041  -20.1891
            7   N1y N    24.5935  -19.1975
            8   C1y C    28.1399  -18.0425
            9   C1x C    26.8975  -16.6251
            10  C1z C    25.0543  -20.3524
            11  C1x C    27.0375  -20.4750
            12  C1x C    23.9693  -18.5033
            13  O1a O    25.0543  -16.6484
            14  C1z C    28.6999  -19.0691
            15  C1x C    24.5409  -21.4200
            16  C1b C    23.5318  -18.5850
            17  C1y C    28.7408  -17.0451
            18  C1y C    27.9708  -16.1643
            19  C1x C    23.9693  -19.7400
            20  C1a C    25.7425  -21.9800
            21  C1x C    30.1408  -18.3984
            22  O1a O    29.9715  -19.8217
            23  C1a C    22.4585  -19.1975
            24  O1a O    30.8408  -16.0009
            25  C1y C    29.1316  -16.1643
            26  O2a O    29.8666  -14.9567
            27  C1a C    29.3882  -13.6150
BOND        32
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     6   2 1 #Down
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16    8  17 1
            17    9  18 1
            18   10  19 1
            19   10  20 1 #Up
            20   14  21 1
            21   14  22 1 #Up
            22   16  23 1
            23   17  24 1 #Down
            24   18  25 1
            25   25  26 1 #Up
            26   26  27 1
            27    6  11 1
            28    8  14 1
            29   10  15 1 #Down
            30   12  19 1
            31   17  18 1
            32   21  25 1

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