KEGG   COMPOUND: C09419Help
Entry
C09419                      Compound                               

Name
Dauricine
Formula
C38H44N2O6
Exact mass
624.3199
Mol weight
624.7658
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09419  Dauricine
BRITE hierarchy
Other DBs
CAS: 524-17-4
PubChem: 11610
ChEBI: 4331
ChEMBL: CHEMBL442717
KNApSAcK: C00001845 C00028131
3DMET: B02950
NIKKAJI: J8.642H
LinkDB All DBs
KCF data Show

ATOM        46
            1   C8x C    16.1700  -19.1800
            2   C8x C    16.1700  -20.5800
            3   C8y C    17.3824  -21.2800
            4   C8y C    18.5949  -20.5800
            5   C8x C    18.5949  -19.1800
            6   C8y C    17.3824  -18.4800
            7   O2a O    19.8324  -21.2800
            8   C8y C    21.0449  -20.5800
            9   C8x C    22.2760  -21.2910
            10  C8x C    23.4885  -20.5912
            11  C8y C    23.4887  -19.1912
            12  C8x C    22.2576  -18.4802
            13  C8x C    21.0451  -19.1800
            14  C1b C    24.7324  -18.4800
            15  C1y C    25.9449  -19.1800
            16  C8y C    25.9449  -20.5798
            17  C8y C    27.1573  -21.2798
            18  C1x C    28.3697  -20.5798
            19  C1x C    28.3697  -19.1800
            20  N1y N    27.1573  -18.4800
            21  C8x C    24.7324  -21.2798
            22  C8y C    24.7324  -22.6798
            23  C8y C    25.9449  -23.3798
            24  C8x C    27.1573  -22.6798
            25  O2a O    23.5032  -23.3897
            26  C1a C    22.2992  -22.6946
            27  O2a O    25.9449  -24.7798
            28  C1a C    27.1761  -25.4908
            29  O1a O    17.3824  -22.6798
            30  C1b C    17.3824  -17.0802
            31  C1y C    16.1532  -16.3703
            32  N1y N    16.1535  -14.9801
            33  C1x C    14.9412  -14.2799
            34  C1x C    13.7286  -14.9796
            35  C8y C    13.7283  -16.3698
            36  C8y C    14.9406  -17.0701
            37  C8x C    12.5158  -17.0696
            38  C8y C    12.5155  -18.4696
            39  C8y C    13.7278  -19.1698
            40  C8x C    14.9404  -18.4701
            41  O2a O    13.7276  -20.5800
            42  O2a O    11.3094  -19.1657
            43  C1a C    10.1262  -18.4823
            44  C1a C    12.5094  -21.2831
            45  C1a C    17.3784  -14.2731
            46  C1a C    27.1573  -17.0800
BOND        51
            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 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16   15  14 1 #Up
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  20 1
            23   16  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   17  24 2
            28   22  25 1
            29   25  26 1
            30   23  27 1
            31   27  28 1
            32    3  29 1
            33    6  30 1
            34   31  30 1 #Down
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   31  36 1
            41   35  37 2
            42   37  38 1
            43   38  39 2
            44   39  40 1
            45   36  40 2
            46   39  41 1
            47   38  42 1
            48   42  43 1
            49   41  44 1
            50   32  45 1
            51   20  46 1

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