KEGG   COMPOUND: C19515Help
Entry
C19515                      Compound                               

Name
Ptaquiloside;
Braxin C
Formula
C20H30O8
Exact mass
398.1941
Mol weight
398.4474
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Others
  Others
   Others
    C19515  Braxin C
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19515  Ptaquiloside
Natural toxins [BR:br08009]
 Phytotoxins
  Others
   Others
    C19515  Ptaquiloside
BRITE hierarchy
Other DBs
CAS: 
87625-62-5
PubChem: 
ChEBI: 
KNApSAcK: 
LinkDB All DBs
KCF data Show

ATOM        28
            1   C2y C    25.3302  -18.3258
            2   C1z C    25.3302  -19.7247
            3   C1z C    26.5416  -20.4241
            4   C1y C    27.7532  -19.7247
            5   C1z C    27.7532  -18.3258
            6   C2x C    26.5416  -17.6263
            7   C5x C    29.0836  -20.1569
            8   C1y C    29.9059  -19.0252
            9   C1x C    29.0836  -17.8935
            10  O5x O    29.5144  -21.4827
            11  C1a C    24.1187  -17.6263
            12  O1a O    27.2411  -21.6356
            13  C1a C    25.8422  -21.6356
            14  C1a C    31.2755  -19.0252
            15  O2a O    27.7532  -16.5772
            16  C1y C    28.9833  -15.8667
            17  C1y C    30.1876  -16.5619
            18  C1y C    31.3989  -15.8623
            19  C1y C    31.3989  -14.4634
            20  C1y C    30.1947  -13.7683
            21  O2x O    28.9832  -14.4678
            22  O1a O    30.1876  -17.9608
            23  O1a O    32.6159  -13.7607
            24  C1b C    30.1949  -12.3808
            25  O1a O    32.6295  -16.5727
            26  O1a O    31.4300  -11.6675
            27  C1x C    24.3411  -20.7138
            28  C1x C    23.9313  -19.7247
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    7  10 2
            12    1  11 1
            13    3  12 1 #Down
            14    3  13 1 #Up
            15    8  14 1 #Up
            16    5  15 1 #Up
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   16  21 1
            24   17  22 1 #Up
            25   19  23 1 #Up
            26   20  24 1 #Down
            27   18  25 1 #Down
            28   24  26 1
            29    2  27 1
            30    2  28 1
            31   28  27 1

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