KEGG   COMPOUND: C09655Help
Entry
C09655                      Compound                               

Name
Thalicarpine
Formula
C41H48N2O8
Exact mass
696.3411
Mol weight
696.8284
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09655  Thalicarpine
BRITE hierarchy
Other DBs
CAS: 5373-42-2
PubChem: 11845
ChEBI: 9509
ChEMBL: CHEMBL507100
KNApSAcK: C00001920
3DMET: B03168
NIKKAJI: J7.977D
KCF data Show

ATOM        51
            1   C8y C    23.6679  -13.9133
            2   C8y C    24.8714  -13.2179
            3   C8y C    23.6796  -15.3154
            4   C8y C    22.4468  -13.2179
            5   C1y C    26.0868  -13.9074
            6   C8y C    24.8773  -11.8099
            7   C8y C    24.8831  -16.0107
            8   C8x C    22.4761  -16.0224
            9   C8y C    22.4468  -11.8099
            10  O2a O    21.2316  -13.9133
            11  C1x C    26.0925  -15.3037
            12  N1y N    27.3019  -13.2239
            13  C8x C    23.6679  -11.1029
            14  C1x C    26.0985  -11.1088
            15  C8x C    24.8248  -17.3953
            16  C8y C    22.4819  -17.4130
            17  O2a O    21.2316  -11.1029
            18  C1a C    20.0163  -13.2179
            19  C1x C    27.3079  -11.8216
            20  C1a C    28.5114  -13.9248
            21  C8y C    23.6913  -18.0965
            22  O2a O    21.2667  -18.1081
            23  C1a C    20.0163  -11.8040
            24  O2a O    23.6271  -19.4929
            25  C1a C    20.0514  -17.4187
            26  C8y C    24.9182  -20.1824
            27  C8y C    26.1393  -19.4870
            28  C8x C    24.9065  -21.5904
            29  C1b C    26.1276  -18.0790
            30  C8x C    27.3429  -20.1941
            31  C8y C    26.1218  -22.2915
            32  C1y C    27.3370  -17.3836
            33  C8y C    27.3370  -21.6021
            34  O2a O    26.1159  -23.6878
            35  C8y C    28.5524  -18.0790
            36  N1y N    27.3370  -15.9814
            37  O2a O    28.5464  -22.2855
            38  C1a C    24.8948  -24.3831
            39  C8y C    29.7676  -17.3836
            40  C8x C    28.5524  -19.4812
            41  C1x C    28.5581  -15.2745
            42  C1a C    25.7018  -16.3908
            43  C1a C    28.5464  -23.6878
            44  C8x C    30.9827  -18.0848
            45  C1x C    29.7676  -15.9814
            46  C8y C    29.7676  -20.1881
            47  C8y C    30.9827  -19.4870
            48  O2a O    29.7618  -21.5844
            49  O2a O    32.1864  -20.1824
            50  C1a C    30.9710  -22.2739
            51  C1a C    33.4016  -19.4696
BOND        57
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 1
            18   12  19 1
            19   12  20 1
            20   15  21 2
            21   16  22 1
            22   17  23 1
            23   21  24 1
            24   22  25 1
            25   24  26 1
            26   26  27 2
            27   26  28 1
            28   27  29 1
            29   27  30 1
            30   28  31 2
            31   29  32 1
            32   30  33 2
            33   31  34 1
            34   32  35 1
            35   32  36 1
            36   33  37 1
            37   34  38 1
            38   35  39 1
            39   35  40 2
            40   36  41 1
            41   36  42 1
            42   37  43 1
            43   39  44 2
            44   39  45 1
            45   40  46 1
            46   44  47 1
            47   46  48 1
            48   47  49 1
            49   48  50 1
            50   49  51 1
            51    7  11 1
            52    9  13 1
            53   14  19 1
            54   16  21 1
            55   31  33 1
            56   41  45 1
            57   46  47 2

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