KEGG   COMPOUND: C09369
Entry
C09369                      Compound                               
Name
Calafatimine
Formula
C38H40N2O7
Exact mass
636.2836
Mol weight
636.7334
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09369  Calafatimine
Other DBs
CAS: 77793-42-1
PubChem: 11560
ChEBI: 3300
KNApSAcK: C00001826
3DMET: B02903
NIKKAJI: J2.424.637J
LinkDB
KCF data

ATOM        47
            1   C8y C    27.3341  -14.3568
            2   C8y C    28.4411  -15.0443
            3   C1y C    26.0873  -15.0384
            4   C8y C    27.2700  -13.0052
            5   C8y C    29.6238  -14.3568
            6   O2x O    28.4018  -17.2219
            7   C1x C    26.0814  -16.4017
            8   N1y N    24.9103  -14.3452
            9   C8x C    28.4411  -12.3177
            10  C1x C    26.0990  -12.3117
            11  C8y C    29.6238  -13.0052
            12  O2a O    30.8006  -15.0443
            13  C8y C    29.8238  -18.9594
            14  C8y C    24.9046  -17.0718
            15  C1x C    24.9394  -13.0052
            16  C1a C    23.7335  -15.0151
            17  O2a O    30.8006  -12.3177
            18  C1a C    31.9659  -14.3568
            19  C8x C    29.8236  -20.3228
            20  C8y C    30.9656  -18.2196
            21  C8y C    24.9046  -18.4292
            22  C8x C    23.7335  -16.3843
            23  C1a C    31.9716  -12.9935
            24  C8y C    31.1055  -20.9287
            25  C8x C    32.1833  -18.8371
            26  O2a O    30.9656  -16.8562
            27  C8y C    23.7219  -19.1051
            28  C8x C    22.5508  -17.0602
            29  C8y C    32.1716  -20.1888
            30  C2y C    31.1054  -22.2862
            31  C1a C    32.0376  -16.1280
            32  C8y C    22.5449  -18.4235
            33  O2x O    23.7160  -20.4627
            34  C1x C    33.4534  -20.8006
            35  C1x C    29.2634  -23.0378
            36  N2x N    32.3930  -22.9038
            37  O2a O    21.3738  -19.0877
            38  C8y C    24.9046  -21.1093
            39  C1x C    33.4416  -22.1463
            40  C8y C    27.2174  -22.4202
            41  C1a C    21.3738  -20.4394
            42  C8x C    26.0697  -20.4044
            43  C8x C    24.9336  -22.4785
            44  C8x C    27.2641  -21.0628
            45  C8x C    26.1280  -23.1310
            46  O2a O    26.1185  -19.1337
            47  C1a C    27.3362  -18.4343
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 2
            19   13  20 1
            20   14  21 1
            21   14  22 2
            22   17  23 1
            23   19  24 1
            24   20  25 2
            25   20  26 1
            26   21  27 2
            27   22  28 1
            28   24  29 2
            29   24  30 1
            30   26  31 1
            31   27  32 1
            32   27  33 1
            33   29  34 1
            34   30  35 1
            35   30  36 2
            36   32  37 1
            37   33  38 1
            38   34  39 1
            39   35  40 1
            40   37  41 1
            41   38  42 2
            42   38  43 1
            43   40  44 2
            44   40  45 1
            45    9  11 2
            46   10  15 1
            47   25  29 1
            48   28  32 2
            49   36  39 1
            50   42  44 1
            51   43  45 2
            52   21  46 1
            53   46  47 1

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