KEGG   COMPOUND: C08706Help
Entry
C08706                      Compound                               

Name
Septentrionine
Formula
C38H54N2O11
Exact mass
714.3728
Mol weight
714.8422
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08706  Septentrionine
BRITE hierarchy
Other DBs
CAS: 70553-63-8
PubChem: 10899
ChEBI: 9114
KNApSAcK: C00001662
3DMET: B02344
NIKKAJI: J2.766.711B
KCF data Show

ATOM        51
            1   C1z C    28.5145  -15.8108
            2   C1y C    28.5145  -17.1603
            3   C1y C    28.5028  -14.4789
            4   C1y C    29.4783  -15.0398
            5   C1y C    27.3637  -15.1508
            6   C1z C    27.3637  -17.8203
            7   C1y C    29.5251  -17.9548
            8   C1z C    30.7868  -17.6451
            9   N1y N    26.8787  -16.5702
            10  C1y C    30.7169  -15.3259
            11  C1x C    29.3673  -13.7779
            12  C1x C    26.2011  -15.8108
            13  O2a O    27.3637  -13.8072
            14  C1x C    26.8845  -18.9771
            15  C1x C    26.2011  -17.1544
            16  C1b C    27.8777  -18.9771
            17  O2a O    29.2330  -19.2574
            18  C1z C    31.3127  -16.4242
            19  O1a O    31.5756  -18.7201
            20  C1b C    25.6696  -15.8692
            21  C1y C    31.3652  -14.2393
            22  C1y C    30.5241  -13.2872
            23  C1a C    26.2070  -13.1412
            24  O7a O    27.8720  -20.3149
            25  C1a C    30.5761  -20.2272
            26  C1x C    32.8782  -15.7057
            27  O2a O    32.4692  -17.0902
            28  C1a C    24.4604  -16.5702
            29  O2a O    33.6319  -13.1061
            30  C1y C    31.7858  -13.2813
            31  C7a C    26.8379  -20.9048
            32  C1a C    33.8596  -17.0844
            33  C1a C    34.9343  -13.7311
            34  O2a O    32.5861  -12.0664
            35  C8y C    26.8321  -22.1023
            36  O6a O    25.8040  -20.3032
            37  C1a C    32.0545  -10.7756
            38  C8y C    25.7980  -22.6866
            39  C8x C    27.8543  -22.6983
            40  N1b N    24.7699  -22.0849
            41  C8x C    25.8564  -23.8725
            42  C8x C    27.8486  -23.8899
            43  C5a C    23.7417  -22.6690
            44  C8x C    26.8145  -24.4858
            45  C1b C    22.7195  -22.0732
            46  O5a O    23.7360  -23.8491
            47  C1b C    21.6914  -22.6632
            48  C7a C    20.6690  -22.0673
            49  O7a O    19.6468  -22.6573
            50  O6a O    20.6632  -20.8814
            51  C1a C    18.4844  -22.0615
BOND        57
            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     8   3 1 #Down
            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 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   27  32 1
            32   29  33 1
            33   30  34 1 #Up
            34   31  35 1
            35   31  36 2
            36   34  37 1
            37   35  38 2
            38   35  39 1
            39   38  40 1
            40   38  41 1
            41   39  42 2
            42   40  43 1
            43   41  44 2
            44   43  45 1
            45   43  46 2
            46   45  47 1
            47   47  48 1
            48   48  49 1
            49   48  50 2
            50   49  51 1
            51    7   8 1
            52    9  14 1
            53   10  18 1
            54   12  15 1
            55   21  22 1
            56   26  30 1
            57   42  44 1

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