KEGG   COMPOUND: C09420Help
Entry
C09420                      Compound                               

Name
Emetamine
Formula
C29H36N2O4
Exact mass
476.2675
Mol weight
476.6071
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09420  Emetamine
BRITE hierarchy
Other DBs
CAS: 483-19-2
PubChem: 11611
ChEBI: 4780
KNApSAcK: C00001848
3DMET: B02951
NIKKAJI: J9.378E
KCF data Show

ATOM        35
            1   C1y C    27.3150  -13.8636
            2   C8y C    26.1071  -13.1692
            3   N1y N    28.5346  -13.1809
            4   C1x C    27.3033  -15.2641
            5   C8y C    26.1128  -11.7687
            6   C8x C    24.9049  -13.8695
            7   C1x C    29.7367  -13.8869
            8   C1x C    28.5404  -11.7804
            9   C1y C    28.5113  -15.9701
            10  C8x C    24.9049  -11.0625
            11  C1x C    27.3267  -11.0684
            12  C8y C    23.6854  -13.1692
            13  C1y C    29.7250  -15.2875
            14  C1b C    28.4996  -17.3766
            15  C8y C    23.6854  -11.7687
            16  O2a O    22.4715  -13.8695
            17  C1b C    30.9329  -15.9818
            18  C8y C    27.2100  -18.0652
            19  O2a O    22.4715  -11.0625
            20  C1a C    21.2519  -13.1692
            21  C1a C    32.1468  -15.2699
            22  C8y C    27.2566  -19.4657
            23  N5x N    26.0837  -17.3473
            24  C1a C    21.2578  -11.7628
            25  C8y C    26.0370  -20.1426
            26  C8x C    28.4529  -20.1951
            27  C8x C    24.8524  -18.0242
            28  C8x C    26.0662  -21.5372
            29  C8x C    24.8407  -19.4248
            30  C8y C    28.4179  -21.5956
            31  C8y C    27.1925  -22.2608
            32  O2a O    29.6258  -22.3075
            33  O2a O    27.1866  -23.6614
            34  C1a C    29.5967  -23.5681
            35  C1a C    28.3945  -24.5016
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   10  15 2
            15   12  16 1
            16   13  17 1 #Down
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   17  21 1
            21   18  22 1
            22   18  23 2
            23   19  24 1
            24   22  25 2
            25   22  26 1
            26   23  27 1
            27   25  28 1
            28   25  29 1
            29   26  30 2
            30   28  31 2
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   33  35 1
            35    8  11 1
            36    9  13 1
            37   12  15 1
            38   27  29 2
            39   30  31 1

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