KEGG   COMPOUND: C09328Help
Entry
C09328                      Compound                               

Name
Alangimarckine
Formula
C29H37N3O3
Exact mass
475.2835
Mol weight
475.6224
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09328  Alangimarckine
BRITE hierarchy
Other DBs
CAS: 
13849-53-1
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        35
            1   C8y C    29.2221  -23.5556
            2   C8y C    29.1813  -24.9668
            3   C1y C    27.9917  -22.8909
            4   N4x N    30.5515  -23.0950
            5   C8y C    30.5982  -25.3633
            6   C1x C    28.0560  -25.6898
            7   C1b C    26.7789  -22.1854
            8   N1x N    26.7906  -23.6140
            9   C8y C    31.4087  -24.2204
            10  C8x C    31.1988  -26.6403
            11  C1x C    26.8256  -25.0134
            12  C1y C    26.7789  -20.7919
            13  C8x C    32.8140  -24.3430
            14  C8x C    32.5983  -26.7627
            15  C1x C    25.5778  -20.0863
            16  C1y C    27.9976  -20.1096
            17  C8x C    33.4028  -25.6141
            18  C1y C    25.5195  -18.6927
            19  C1x C    28.0093  -18.7161
            20  C1b C    29.2046  -20.8036
            21  C8y C    24.3825  -17.9930
            22  N1y N    26.8080  -18.0047
            23  C1a C    30.4117  -20.0979
            24  C8y C    24.3882  -16.5878
            25  C8x C    23.1755  -18.6985
            26  C1x C    26.8139  -16.5993
            27  C8y C    23.1755  -15.8938
            28  C1x C    25.6069  -15.8997
            29  C8y C    21.9568  -17.9930
            30  C8y C    21.9568  -16.5878
            31  O2a O    20.7498  -18.6985
            32  O2a O    20.7498  -15.8938
            33  O1a O    23.1645  -14.4939
            34  C1a C    19.5429  -16.5936
            35  C1a C    19.5379  -18.0074
BOND        40
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 1
            6     4   9 1
            7     5  10 1
            8     6  11 1
            9     7  12 1
            10    9  13 1
            11   10  14 2
            12   12  15 1
            13   12  16 1
            14   13  17 2
            15   15  18 1
            16   16  19 1
            17   16  20 1 #Down
            18   18  21 1
            19   18  22 1
            20   20  23 1
            21   21  24 2
            22   21  25 1
            23   22  26 1
            24   24  27 1
            25   24  28 1
            26   25  29 2
            27   27  30 2
            28   29  31 1
            29   30  32 1
            30    5   9 2
            31    8  11 1
            32   14  17 1
            33   19  22 1
            34   26  28 1
            35   29  30 1
            36   27  33 1
            37    1   2 2
            38   32  34 1
            39    1   3 1
            40   31  35 1

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