KEGG   COMPOUND: C15760
Entry
C15760                      Compound                               
Name
Pederin
Formula
C25H45NO9
Exact mass
503.3094
Mol weight
503.6261
Structure
Sequence
0 Mak  1 Mte  2 Mak  3 Man  4 Gly  5 Mak  6 Mtk  7 Mak
  Gene
pedF [UP:Q6VT95]; pedH [UP:Q6VT93];
  Organism
Unknown; Symbiont bacterium of Paederus fuscipes
  Type
PKNRP
Other DBs
CAS: 27973-72-4
PubChem: 47205086
ChEBI: 78591
NIKKAJI: J37.119J
KCF data

ATOM        35
            1   C1z C    33.8800  -21.1400
            2   O2x O    33.8800  -22.5400
            3   C1y C    35.0924  -23.2400
            4   C1y C    36.3049  -22.5400
            5   C2y C    36.3049  -21.1400
            6   C1x C    35.0924  -20.4400
            7   C1c C    32.6676  -20.4400
            8   C5a C    31.4551  -21.1400
            9   N1b N    30.2427  -20.4400
            10  C1c C    29.0303  -21.1400
            11  C1y C    27.8178  -20.4400
            12  O2x O    27.8178  -19.0403
            13  C1y C    26.6054  -18.3403
            14  C1z C    25.3929  -19.0403
            15  C1y C    25.3930  -20.4400
            16  C1x C    26.6054  -21.1400
            17  C1a C    37.5360  -23.2510
            18  C1a C    35.0924  -24.6398
            19  O1a O    32.6676  -19.0402
            20  O2a O    29.0303  -22.5399
            21  O5a O    31.4551  -22.5398
            22  C2a C    37.5360  -20.4290
            23  O2a O    33.8800  -19.7400
            24  C1a C    35.0924  -19.0400
            25  C1a C    30.2575  -23.2485
            26  O1a O    24.1934  -21.1327
            27  C1a C    25.0306  -17.7580
            28  C1a C    24.0406  -19.4026
            29  C1b C    26.6054  -16.9400
            30  C1c C    25.3889  -16.2377
            31  O2a O    24.1914  -16.9292
            32  C1b C    25.3889  -14.8402
            33  O2a O    24.1923  -14.1492
            34  C1a C    23.0051  -16.2443
            35  C1a C    24.1923  -12.7492
BOND        36
            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    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 1
            18    4  17 1 #Up
            19    3  18 1 #Up
            20    7  19 1 #Up
            21   10  20 1 #Up
            22    8  21 2
            23    5  22 2
            24    1  23 1 #Down
            25   23  24 1
            26   20  25 1
            27   15  26 1 #Up
            28   14  27 1
            29   14  28 1
            30   13  29 1 #Up
            31   29  30 1
            32   30  31 1 #Down
            33   30  32 1
            34   32  33 1
            35   31  34 1
            36   33  35 1

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