KEGG   COMPOUND: C08505
Entry
C08505                      Compound                               
Name
Purpureacin-1
Formula
C37H66O8
Exact mass
638.4758
Mol weight
638.9151
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK03 Annonaceae acetogenins
   C08505  Purpureacin-1
Other DBs
CAS: 150134-21-7
PubChem: 10698
ChEBI: 8643
KNApSAcK: C00001320 C00044119
NIKKAJI: J2.766.055J
LinkDB
KCF data

ATOM        45
            1   C1y C    23.8000  -19.0400
            2   O2x O    22.6800  -18.2000
            3   C1x C    23.3800  -20.3000
            4   C1c C    24.7800  -18.3400
            5   C1y C    21.5600  -19.0400
            6   C1x C    21.9800  -20.3000
            7   C1b C    25.9700  -19.0400
            8   O1a O    24.7800  -17.0100
            9   C1c C    20.3700  -18.3400
            10  C1b C    27.1600  -18.3400
            11  C1b C    19.1800  -19.0400
            12  O1a O    20.3700  -16.9400
            13  C1c C    28.3500  -19.0400
            14  C1b C    17.9900  -18.3400
            15  C1y C    29.5400  -18.3400
            16  O1a O    28.3500  -20.4400
            17  C1b C    16.8000  -19.0400
            18  O2x O    30.6600  -19.1800
            19  C1x C    29.9600  -17.0100
            20  C1b C    15.6100  -18.3400
            21  C1y C    31.7800  -18.3400
            22  C1x C    31.3600  -17.0100
            23  C1b C    14.4200  -19.0400
            24  C1b C    32.9700  -19.0400
            25  C1b C    13.2300  -18.3400
            26  C1b C    34.1600  -18.3400
            27  C1b C    12.0400  -19.0400
            28  C1b C    35.3500  -19.0400
            29  C1b C    10.8500  -18.3400
            30  C1b C    36.5400  -18.3400
            31  C1b C     9.6600  -19.0400
            32  C1b C    37.8000  -19.0400
            33  C1a C     8.4700  -18.3400
            34  C1b C    38.9900  -18.3400
            35  C1b C    40.1800  -19.0400
            36  C1c C    41.3700  -18.3400
            37  C1b C    42.5600  -19.0400
            38  O1a O    41.3700  -17.0100
            39  C2y C    43.7500  -18.3400
            40  C7x C    44.1700  -17.0100
            41  C2x C    44.9400  -19.1800
            42  O7x O    45.6400  -17.0100
            43  O6a O    43.4000  -15.9600
            44  C1y C    46.0600  -18.3400
            45  C1a C    47.3200  -18.8300
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    9  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24   23  25 1
            25   24  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   36  38 1
            38   37  39 1
            39   39  40 1
            40   39  41 2
            41   40  42 1
            42   40  43 2
            43   41  44 1
            44   44  45 1
            45    5   6 1
            46   21  22 1
            47   42  44 1

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