KEGG   COMPOUND: C05148Help
Entry
C05148                      Compound                               

Name
Debromoaplysiatoxin
Formula
C32H48O10
Exact mass
592.3247
Mol weight
592.7175
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Natural toxins [BR:br08009]
 Cyanotoxins
  Alkaloids
   Aplysiatoxins
    C05148  Debromoaplysiatoxin
BRITE hierarchy
Other DBs
CAS: 
52423-28-6
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        42
            1   C1z C    24.6708  -17.1876
            2   O2x O    23.4879  -17.8751
            3   C1x C    25.8662  -17.8627
            4   O2x O    27.7200  -17.0538
            5   C1z C    24.6708  -15.8250
            6   C1z C    22.3174  -17.1876
            7   C1y C    25.8723  -19.2376
            8   C1y C    28.2073  -19.2191
            9   C1x C    23.4879  -15.1499
            10  C1a C    25.5564  -14.6978
            11  C1a C    26.0087  -15.8250
            12  C1y C    22.3174  -15.8250
            13  C1x C    21.1345  -17.8627
            14  O1a O    22.3174  -18.7477
            15  C1y C    27.0429  -19.9065
            16  O7x O    24.6132  -20.0136
            17  C1c C    29.3778  -19.8817
            18  C1a C    21.1530  -15.1499
            19  C7x C    21.1097  -19.2252
            20  C1a C    27.0553  -21.2505
            21  C7x C    24.6647  -21.3001
            22  C1b C    30.5422  -19.2004
            23  C1a C    29.3902  -21.2320
            24  O7x O    22.2926  -19.9128
            25  O6a O    19.9392  -19.8880
            26  C1x C    23.4694  -21.9874
            27  O6a O    25.8228  -21.9813
            28  C1b C    31.7127  -19.8632
            29  C1y C    22.2863  -21.2877
            30  C1c C    32.8710  -19.1819
            31  C1c C    21.1158  -21.9504
            32  C8y C    34.0476  -19.8445
            33  O2a O    32.9347  -17.8316
            34  C1a C    19.9577  -21.2629
            35  O1a O    21.1345  -23.3190
            36  C8x C    33.9900  -21.1948
            37  C8x C    35.1996  -19.1695
            38  C1a C    34.0928  -17.1504
            39  C8y C    35.2244  -21.8637
            40  C8x C    36.3764  -19.8260
            41  C8x C    36.3888  -21.1700
            42  O1a O    35.2368  -23.2138
BOND        45
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1
            15    7  16 1
            16    8  17 1
            17   12  18 1 #Up
            18   13  19 1
            19   15  20 1 #Down
            20   16  21 1
            21   17  22 1
            22   17  23 1
            23   19  24 1
            24   19  25 2
            25   21  26 1
            26   21  27 2
            27   22  28 1
            28   24  29 1
            29   28  30 1
            30   29  31 1
            31   30  32 1
            32   30  33 1
            33   31  34 1
            34   31  35 1
            35   32  36 1
            36   32  37 2
            37   33  38 1
            38   36  39 2
            39   37  40 1
            40   39  41 1
            41   39  42 1
            42    8  15 1
            43    9  12 1
            44   26  29 1
            45   40  41 2

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