KEGG   COMPOUND: C10797Help
Entry
C10797                      Compound                               

Name
Cyclobuxine D;
Cyclobuxine
Formula
C25H42N2O
Exact mass
386.3297
Mol weight
386.6138
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Steroid alkaloids
    C10797  Cyclobuxine D
BRITE hierarchy
Other DBs
CAS: 2241-90-9
PubChem: 12980
ChEBI: 3999
KNApSAcK: C00002244
3DMET: B04131
NIKKAJI: J7.374A
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1y C    30.2762  -15.6783
            2   C1x C    27.8979  -15.6710
            3   C1y C    27.8746  -18.4082
            4   C1x C    26.6998  -16.3385
            5   C1z C    26.6881  -17.7104
            6   C1x C    27.8746  -19.7799
            7   C1z C    25.5032  -18.3965
            8   C1x C    26.6765  -20.4592
            9   C1y C    25.4972  -19.7684
            10  C1x C    24.3180  -17.7045
            11  C1x C    25.4986  -17.0251
            12  C2y C    24.3180  -20.4533
            13  C1x C    23.1259  -18.3965
            14  C1y C    23.1259  -19.7684
            15  N1b N    21.9347  -20.4533
            16  C1a C    20.7425  -19.7684
            17  C1a C    29.0420  -19.1051
            18  C2a C    24.3048  -21.8161
            19  C1a C    29.0647  -14.9930
            20  C1z C    29.0712  -16.3586
            21  C1z C    29.0596  -17.7395
            22  C1x C    31.4507  -17.6896
            23  C1y C    31.4623  -16.3788
            24  C1c C    30.2877  -14.3123
            25  C1a C    29.1071  -13.6195
            26  N1b N    31.4725  -13.6394
            27  C1a C    32.6530  -14.3323
            28  O1a O    32.6542  -15.7057
BOND        32
            1     7  11 1 #Up
            2     9  12 1
            3    10  13 1
            4    12  14 1
            5    14  15 1 #Up
            6    15  16 1
            7     4   5 1
            8     8   9 1
            9    13  14 1
            10   21  17 1 #Down
            11   12  18 2
            12    5  11 1 #Up
            13   20  19 1 #Up
            14   20   2 1
            15   21   3 1
            16    2   4 1
            17    3   5 1
            18   20  21 1
            19   22  23 1
            20   23   1 1
            21    1  20 1
            22   21  22 1
            23    3   6 1
            24    1  24 1
            25    5   7 1
            26   24  25 1
            27    6   8 1
            28   24  26 1 #Down
            29    7   9 1
            30   26  27 1
            31    7  10 1
            32   23  28 1 #Down

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