KEGG   COMPOUND: C09179
Entry
C09179                      Compound                               
Name
Resiniferatoxin;
RTX
Formula
C37H40O9
Exact mass
628.2672
Mol weight
628.7081
Structure
Pathway
map04750  Inflammatory mediator regulation of TRP channels
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Daphnanes
    C09179  Resiniferatoxin
Other DBs
CAS: 57444-62-9
PubChem: 11371
ChEBI: 8809
KNApSAcK: C00003478
3DMET: B05329
NIKKAJI: J282.917G
LinkDB
KCF data

ATOM        46
            1   C8y C    29.0222  -20.4204
            2   C8y C    30.1358  -19.7404
            3   C8x C    29.0548  -21.7299
            4   C8x C    31.2752  -20.3628
            5   O2a O    30.1733  -18.4382
            6   C8x C    30.1978  -22.3471
            7   C8y C    31.3126  -21.6690
            8   C1a C    31.3489  -17.7450
            9   O1a O    32.4620  -22.2963
            10  C1z C    22.7880  -16.9189
            11  C1y C    23.9727  -17.5032
            12  C1y C    21.7444  -17.5091
            13  O2x O    23.6396  -16.1258
            14  C1y C    22.8404  -15.6066
            15  C1y C    25.0631  -16.7683
            16  C2x C    24.2520  -18.7746
            17  C1z C    21.3062  -18.6637
            18  C2x C    20.6940  -16.7273
            19  C1z C    24.8879  -12.4278
            20  C1x C    23.7975  -14.8834
            21  C1a C    21.5691  -14.9535
            22  C1z C    25.0396  -15.4548
            23  O2x O    26.3930  -17.1541
            24  C2y C    23.4236  -19.7070
            25  C1x C    22.1171  -19.7653
            26  C5x C    20.0057  -18.7044
            27  O1a O    21.1604  -20.2500
            28  C2y C    19.6388  -17.4624
            29  O2x O    24.8937  -14.4343
            30  C1b C    24.9520  -11.5414
            31  C2c C    26.2418  -14.7958
            32  O5x O    19.2181  -19.7419
            33  C1a C    18.4024  -17.0357
            34  C8y C    23.8150  -10.8941
            35  C1a C    26.2359  -13.4951
            36  C2a C    27.2214  -15.4548
            37  C8x C    23.8150   -9.6013
            38  C8x C    22.6827  -11.5472
            39  C8x C    22.6711   -8.9555
            40  C8x C    21.5575  -10.9058
            41  C8x C    21.5458   -9.6013
            42  C1b C    24.5511  -20.4238
            43  O7a O    25.6736  -19.7741
            44  C7a C    26.7962  -20.4167
            45  C1b C    27.9117  -19.7741
            46  O6a O    26.7962  -21.7127
BOND        52
            1     6   7 2
            2     1   2 1
            3     1   3 2
            4    10  11 1
            5    10  12 1
            6    10  13 1 #Down
            7    10  14 1
            8    11  15 1
            9    11  16 1
            10   12  17 1
            11   12  18 1
            12   13  19 1
            13   14  20 1
            14   14  21 1 #Down
            15   15  22 1
            16   15  23 1 #Down
            17   16  24 2
            18   17  25 1
            19   17  26 1
            20   17  27 1 #Up
            21   18  28 2
            22   19  29 1
            23   19  30 1
            24   22  31 1 #Up
            25   26  32 2
            26   28  33 1
            27   30  34 1
            28   31  35 1
            29   31  36 2
            30   34  37 2
            31   34  38 1
            32   37  39 1
            33   38  40 2
            34   39  41 2
            35   19  23 1
            36   20  22 1
            37   22  29 1 #Down
            38   24  25 1
            39   26  28 1
            40   40  41 1
            41    2   4 2
            42    2   5 1
            43   24  42 1
            44    3   6 1
            45   42  43 1
            46    4   7 1
            47   43  44 1
            48    5   8 1
            49   44  45 1
            50    7   9 1
            51   44  46 2
            52   45   1 1

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