KEGG   COMPOUND: C19989Help
Entry
C19989                      Compound                               

Name
Taxine B
Formula
C33H45NO8
Exact mass
583.3145
Mol weight
583.7123
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Taxanes
    C19989  Taxine B
Natural toxins [BR:br08009]
 Phytotoxins
  Terpenoids
   Diterpenoids
    C19989  Taxine B
BRITE hierarchy
Other DBs
CAS: 1361-51-9
PubChem: 135626455
ChEBI: 134192
KNApSAcK: C00041163
LinkDB All DBs
KCF data Show

ATOM        42
            1   C1z C    20.9300  -17.2900
            2   C1y C    20.9300  -18.6900
            3   C2y C    22.1424  -19.3900
            4   C1y C    23.3549  -18.6900
            5   C1x C    23.3549  -17.2900
            6   C1x C    22.1424  -16.5900
            7   C1y C    19.8001  -16.3001
            8   C1y C    18.4001  -16.3001
            9   O7a O    17.7069  -15.0994
            10  C2y C    17.2782  -17.1656
            11  C2y C    15.8782  -17.1656
            12  C5x C    15.1782  -18.3780
            13  C1x C    15.8782  -19.5904
            14  C1z C    17.2782  -19.5904
            15  C1z C    17.9782  -18.3780
            16  C1y C    19.4007  -20.1504
            17  C1a C    18.8282  -17.2480
            18  C1a C    18.9805  -18.4603
            19  O5x O    13.7782  -18.3780
            20  C2a C    22.1424  -20.7898
            21  O7a O    24.5924  -19.3900
            22  C7a C    25.8049  -18.6900
            23  C1b C    27.0173  -19.3900
            24  C1c C    28.2297  -18.6900
            25  O6a O    25.8049  -17.2902
            26  N1c N    29.4273  -19.3815
            27  C8y C    28.2298  -17.2901
            28  C1a C    30.6156  -18.6955
            29  C1a C    29.4274  -20.7897
            30  C8x C    29.4274  -16.5986
            31  C8x C    29.4273  -15.1986
            32  C8x C    28.2149  -14.4987
            33  C8x C    27.0173  -15.1902
            34  C8x C    27.0173  -16.5902
            35  C1a C    20.9300  -15.8900
            36  O1a O    20.2909  -14.8552
            37  C7a C    18.3988  -13.9012
            38  O6a O    19.8097  -13.9011
            39  C1a C    17.7141  -12.7152
            40  C1a C    15.1744  -15.9467
            41  O1a O    17.2782  -20.9904
            42  O1a O    19.7517  -21.5125
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   10  15 1
            17   14  16 1
            18    2  16 1
            19   15  17 1
            20   15  18 1
            21   12  19 2
            22    3  20 2
            23    4  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   22  25 2
            28   24  26 1
            29   24  27 1
            30   26  28 1
            31   26  29 1
            32   27  30 2
            33   30  31 1
            34   31  32 2
            35   32  33 1
            36   33  34 2
            37   27  34 1
            38    1  35 1
            39    7  36 1
            40    9  37 1
            41   37  38 2
            42   37  39 1
            43   11  40 1
            44   14  41 1
            45   16  42 1

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