KEGG   COMPOUND: C10619Help
Entry
C10619                      Compound                               

Name
Taxine A
Formula
C35H47NO10
Exact mass
641.32
Mol weight
641.7484
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Taxanes
    C10619  Taxine A
Natural toxins [BR:br08009]
 Phytotoxins
  Terpenoids
   Diterpenoids
    C10619  Taxine A
BRITE hierarchy
Other DBs
CAS: 1361-49-5
PubChem: 12802
ChEBI: 9417
ChEMBL: CHEMBL1983334
KNApSAcK: C00002364
3DMET: B04000
NIKKAJI: J704.299J
LinkDB All DBs
KCF data Show

ATOM        46
            1   C2y C    27.4409  -17.9910
            2   C1y C    28.6624  -17.2783
            3   C2x C    27.4686  -19.3809
            4   C1x C    26.2190  -17.2909
            5   C1x C    28.6537  -15.8632
            6   O7a O    29.8833  -17.9653
            7   C1y C    26.2634  -20.0976
            8   C1z C    26.2752  -15.8790
            9   C1y C    27.4215  -15.1692
            10  C7a C    31.0937  -17.2454
            11  C1y C    25.0374  -19.4138
            12  O7a O    26.2721  -21.5127
            13  C5x C    24.9843  -15.1921
            14  C1a C    26.1786  -14.4680
            15  O1a O    27.5407  -13.7552
            16  C1c C    32.3177  -17.9374
            17  O6a O    31.0623  -15.8374
            18  C1z C    25.0270  -18.0068
            19  C1x C    23.8290  -20.1257
            20  C7a C    25.0617  -22.2325
            21  C1y C    23.7788  -15.9090
            22  O5x O    24.9577  -13.7811
            23  C1c C    33.5129  -17.2264
            24  O1a O    32.3284  -19.3443
            25  C2y C    23.8026  -17.3147
            26  C1a C    25.6254  -16.5939
            27  C1a C    26.1018  -18.3433
            28  C1y C    22.6050  -19.4335
            29  C1a C    25.0795  -23.6284
            30  O6a O    23.8266  -21.5333
            31  O1a O    22.5366  -15.2208
            32  C8y C    33.5612  -15.8125
            33  N1c N    34.7389  -17.9105
            34  C2y C    22.5893  -18.0297
            35  O7a O    21.3997  -20.1504
            36  C8x C    34.7715  -15.0925
            37  C8x C    32.3271  -15.1264
            38  C1a C    35.9494  -17.1905
            39  C1a C    34.7473  -19.3254
            40  C1a C    21.3492  -17.1223
            41  C8x C    34.8230  -13.6838
            42  C8x C    32.3105  -13.7094
            43  C8x C    33.5208  -12.9897
            44  C7a C    20.1748  -19.4642
            45  C1a C    18.9684  -20.1819
            46  O6a O    20.1570  -18.3420
BOND        49
            1     1   4 1
            2     2   5 1
            3     2   6 1 #Down
            4     3   7 1
            5     4   8 1
            6     5   9 1
            7     6  10 1
            8     7  11 1
            9     7  12 1 #Down
            10    8  13 1
            11    8  14 1 #Up
            12    9  15 1 #Up
            13   10  16 1
            14   10  17 2
            15   11  18 1
            16   11  19 1
            17   12  20 1
            18   13  21 1
            19   13  22 2
            20   16  23 1
            21   16  24 1 #Up
            22   18  25 1
            23   18  26 1
            24   18  27 1
            25   19  28 1
            26   20  29 1
            27   20  30 2
            28   21  31 1 #Up
            29   23  32 1
            30   23  33 1 #Down
            31   25  34 2
            32   28  35 1 #Down
            33   32  36 1
            34   32  37 2
            35   33  38 1
            36   33  39 1
            37   34  40 1
            38   36  41 2
            39   37  42 1
            40   41  43 1
            41    8   9 1
            42   21  25 1
            43   28  34 1
            44   42  43 2
            45   35  44 1
            46    1   2 1
            47   44  45 1
            48    1   3 2
            49   44  46 2

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