KEGG   COMPOUND: C08680Help
Entry
C08680                      Compound                               

Name
Denudatine
Formula
C22H33NO2
Exact mass
343.2511
Mol weight
343.5029
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08680  Denudatine
BRITE hierarchy
Other DBs
CAS: 26166-37-0
PubChem: 10873
ChEBI: 4402
KNApSAcK: C00001636 C00028165
3DMET: B02326
NIKKAJI: J17.481E
KCF data Show

ATOM        25
            1   C1z C    26.3666  -17.4358
            2   C1y C    27.4694  -16.8116
            3   C1y C    26.0807  -16.1697
            4   C1y C    26.3666  -18.6963
            5   C1x C    25.2812  -16.8056
            6   C1z C    28.5548  -17.4475
            7   C1y C    27.4051  -15.5510
            8   C1y C    28.5548  -18.7080
            9   N1y N    24.8202  -18.0777
            10  C1x C    27.4518  -19.3382
            11  C1z C    25.2812  -19.3322
            12  C1x C    24.1842  -17.4358
            13  C1y C    29.6459  -16.8349
            14  C1x C    27.9070  -16.3504
            15  C1y C    28.5722  -14.9326
            16  O1a O    26.4481  -13.7951
            17  C1x C    24.8434  -20.4234
            18  C1b C    23.7933  -17.4417
            19  C1x C    24.1842  -18.6963
            20  C1a C    26.0921  -20.9718
            21  C2y C    29.6576  -15.5686
            22  O1a O    30.7313  -17.4534
            23  C1x C    29.1966  -16.0179
            24  C1a C    22.7079  -18.0777
            25  C2a C    30.7487  -14.9326
BOND        30
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15    7  16 1 #Up
            16    9  17 1
            17    9  18 1
            18   11  19 1
            19   11  20 1 #Up
            20   13  21 1
            21   13  22 1 #Up
            22   14  23 1
            23   18  24 1
            24   21  25 2
            25    6   8 1
            26    8  10 1
            27   11  17 1 #Down
            28   12  19 1
            29   15  21 1
            30   15  23 1 #Down

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