KEGG   COMPOUND: C06779
Entry
C06779                      Compound                               
Name
11-O-Demethyl-7-methoxypradimicinone II
Formula
C28H23NO12
Exact mass
565.122
Mol weight
565.4817
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1312 Other aromatic polyketides
    C06779  11-O-Demethyl-7-methoxypradimicinone II
Other DBs
PubChem: 8999
ChEBI: 719
NIKKAJI: J534.406I
LinkDB
KCF data

ATOM        41
            1   C8y C    29.3594  -21.0589
            2   C8y C    30.5735  -20.3818
            3   C8y C    29.3303  -22.4594
            4   C8y C    28.1512  -20.3525
            5   C8y C    31.7699  -21.0937
            6   C8y C    30.5968  -18.9868
            7   C8y C    28.1279  -23.1482
            8   C1y C    30.5325  -23.1774
            9   C8y C    26.9314  -21.0355
            10  O1a O    28.1395  -18.9460
            11  C1y C    31.7583  -22.4945
            12  C8x C    33.0596  -20.4226
            13  C8y C    31.8224  -18.3040
            14  O1a O    29.3827  -18.2747
            15  C8y C    26.9197  -22.4363
            16  O2a O    28.1162  -24.5432
            17  O1a O    30.5208  -24.5782
            18  C5x C    25.7175  -20.3351
            19  O1a O    32.9605  -23.1891
            20  C8y C    33.0189  -19.0278
            21  C5a C    31.8807  -16.9033
            22  C5x C    25.7058  -23.1424
            23  C8y C    24.4976  -21.0238
            24  O5x O    25.7058  -18.9227
            25  C1a C    34.2270  -18.3098
            26  N1b N    33.0246  -16.1970
            27  O5a O    30.5909  -16.2029
            28  C8y C    24.4919  -22.4303
            29  O5x O    25.6941  -24.2572
            30  C8x C    23.2837  -20.3292
            31  C1c C    33.0189  -14.7964
            32  C8y C    23.2837  -23.1365
            33  C8y C    22.0697  -21.0238
            34  C6a C    34.2270  -14.0960
            35  C1a C    31.8048  -14.1017
            36  C8x C    22.0697  -22.4303
            37  O1a O    23.3421  -24.5372
            38  O1a O    20.8441  -20.3292
            39  O6a O    35.4293  -14.7904
            40  O6a O    34.2154  -12.6952
            41  C1a C    26.9049  -25.2293
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16    8  17 1 #Up
            17    9  18 1
            18   11  19 1 #Down
            19   12  20 2
            20   13  21 1
            21   15  22 1
            22   18  23 1
            23   18  24 2
            24   20  25 1
            25   21  26 1
            26   21  27 2
            27   22  28 1
            28   22  29 2
            29   23  30 1
            30   26  31 1
            31   28  32 1
            32   30  33 2
            33   31  34 1
            34   31  35 1
            35   32  36 2
            36   32  37 1
            37   33  38 1
            38   34  39 1
            39   34  40 2
            40    8  11 1
            41    9  15 2
            42   13  20 1
            43   23  28 2
            44   33  36 1
            45   16  41 1

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