KEGG   COMPOUND: C09661Help
Entry
C09661                      Compound                               

Name
Thalsimine
Formula
C38H40N2O7
Exact mass
636.2836
Mol weight
636.7334
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09661  Thalsimine
BRITE hierarchy
Other DBs
CAS: 5525-36-0
PubChem: 11851
ChEBI: 9515
KNApSAcK: C00001923
3DMET: B03174
NIKKAJI: J2.771.075A
KCF data Show

ATOM        47
            1   C8y C    27.2588  -15.3640
            2   C8y C    28.4363  -16.0462
            3   C8y C    27.2646  -14.0058
            4   C1y C    26.0812  -16.0403
            5   C8y C    29.6197  -15.3640
            6   O2x O    27.0664  -19.3457
            7   C8y C    28.4363  -13.3237
            8   C1x C    26.0928  -13.3179
            9   C1x C    26.0754  -17.3986
            10  N1y N    24.9037  -15.3524
            11  C8y C    29.6197  -14.0058
            12  O2a O    30.7974  -16.0462
            13  C8y C    28.3489  -19.9636
            14  O2a O    28.4306  -11.9771
            15  C1x C    24.9327  -14.0058
            16  C8y C    24.8977  -18.0690
            17  C1a C    23.7260  -16.0112
            18  O2a O    30.7974  -13.3237
            19  C1a C    31.9575  -15.3640
            20  C8x C    28.3489  -21.3277
            21  C8y C    29.4216  -19.2174
            22  C1a C    29.5966  -11.3115
            23  C8x C    24.8977  -19.4331
            24  C8x C    23.7260  -17.3811
            25  C1a C    31.9691  -13.9941
            26  C8y C    29.6316  -21.9399
            27  C8x C    30.7100  -19.8469
            28  O2a O    29.4216  -17.8592
            29  C8y C    23.7143  -20.1152
            30  C8x C    22.5426  -18.0573
            31  C8y C    30.6983  -21.1994
            32  C2y C    29.6314  -23.2981
            33  C1a C    30.4943  -17.1246
            34  C8y C    22.5368  -19.4273
            35  O2x O    23.7086  -21.4735
            36  C1x C    31.9808  -21.7999
            37  C1x C    28.4889  -24.0443
            38  N2x N    30.8498  -23.9044
            39  O2a O    21.3651  -20.0977
            40  C8y C    24.8977  -22.1206
            41  C1x C    31.9691  -23.1583
            42  C8y C    27.2821  -23.4264
            43  C1a C    21.3651  -21.4501
            44  C8x C    26.0637  -21.4151
            45  C8x C    24.9270  -23.4847
            46  C8x C    27.3288  -22.0623
            47  C8x C    26.1221  -24.1317
BOND        53
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1 #Down
            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    9  16 1
            16   10  17 1
            17   11  18 1
            18   12  19 1
            19   13  20 2
            20   13  21 1
            21   14  22 1
            22   16  23 1
            23   16  24 2
            24   18  25 1
            25   20  26 1
            26   21  27 2
            27   21  28 1
            28   23  29 2
            29   24  30 1
            30   26  31 2
            31   26  32 1
            32   28  33 1
            33   29  34 1
            34   29  35 1
            35   31  36 1
            36   32  37 1
            37   32  38 2
            38   34  39 1
            39   35  40 1
            40   36  41 1
            41   37  42 1
            42   39  43 1
            43   40  44 2
            44   40  45 1
            45   42  46 2
            46   42  47 1
            47    7  11 2
            48   10  15 1
            49   27  31 1
            50   30  34 2
            51   38  41 1
            52   44  46 1
            53   45  47 2

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