KEGG   COMPOUND: C12409
Entry
C12409                      Compound                               

Name
124-1
Formula
C37H44O14
Exact mass
712.2731
Mol weight
712.7369
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 582799
ChEBI: 31055
3DMET: B04492
NIKKAJI: J533.516G
KCF data

ATOM        51
            1   O1a O    37.2437  -21.2733
            2   C1z C    35.7761  -21.9033
            3   C1a C    36.9251  -23.0323
            4   C1y C    15.4184  -12.7523
            5   C1y C    14.2205  -13.4611
            6   C1y C    14.2339  -14.8601
            7   C1x C    15.4489  -15.5373
            8   C1y C    16.6470  -14.8285
            9   O2x O    16.6299  -13.4425
            10  O2a O    17.8587  -15.5005
            11  O1a O    13.0372  -15.5710
            12  O1a O    13.0079  -12.7775
            13  C1a C    15.4070  -11.3605
            14  C1y C    19.0625  -16.1993
            15  C1x C    19.0625  -17.5913
            16  C1x C    20.2733  -18.2922
            17  C1y C    21.4749  -17.5913
            18  O2x O    21.4749  -16.1993
            19  C1y C    20.2733  -15.5082
            20  C1a C    20.2756  -14.1163
            21  O2a O    22.6818  -18.2847
            22  C1y C    25.0631  -15.4660
            23  C1y C    23.8650  -16.1748
            24  C1y C    23.8786  -17.5738
            25  C1x C    25.0935  -18.2510
            26  C1y C    26.2914  -17.5422
            27  O2x O    26.3446  -16.1562
            28  C8y C    27.5031  -18.2140
            29  O1a O    22.6525  -15.4912
            30  C1a C    25.0515  -14.0740
            31  C8y C    34.4955  -19.6819
            32  C8y C    33.2171  -20.4205
            33  C5x C    33.2183  -21.9051
            34  C1x C    34.4977  -22.6324
            35  C1x C    35.7749  -20.4186
            36  C8y C    31.9388  -18.1951
            37  C8y C    31.9388  -19.6819
            38  C8y C    34.4998  -18.1951
            39  C8x C    33.2194  -17.4565
            40  C8x C    27.4979  -19.6912
            41  C8x C    28.6151  -20.3161
            42  C8y C    29.7230  -19.6912
            43  C5x C    30.8309  -20.3161
            44  C8y C    28.6058  -17.5702
            45  C8y C    29.7230  -18.2047
            46  C5x C    30.8216  -17.5606
            47  O1a O    28.5963  -16.1782
            48  O5x O    30.8120  -16.1687
            49  O5x O    30.7675  -21.7177
            50  O5x O    32.0052  -22.5794
            51  O1a O    35.7738  -17.4470
BOND        57
            1     2   1 1 #Up
            2     2   3 1 #Down
            3    26  28 1 #Up
            4    24  21 1 #Up
            5     8  10 1 #Up
            6    23  29 1 #Down
            7     4   5 1
            8    22  30 1 #Up
            9    14  15 1
            10   15  16 1
            11   16  17 1
            12   17  18 1
            13   18  19 1
            14   19  14 1
            15   31  32 2
            16   32  33 1
            17   33  34 1
            18   34   2 1
            19    2  35 1
            20   35  31 1
            21    6  11 1 #Up
            22   19  20 1 #Down
            23   14  10 1 #Down
            24    5   6 1
            25   36  37 2
            26   37  32 1
            27   31  38 1
            28   38  39 2
            29   39  36 1
            30   17  21 1 #Up
            31    5  12 1 #Down
            32   40  41 1
            33    6   7 1
            34   41  42 2
            35    4  13 1 #Up
            36   42  43 1
            37   43  37 1
            38   40  28 2
            39    7   8 1
            40   28  44 1
            41    8   9 1
            42   44  45 2
            43    9   4 1
            44   45  46 1
            45   46  36 1
            46   22  23 1
            47   44  47 1
            48   23  24 1
            49   46  48 2
            50   42  45 1
            51   24  25 1
            52   43  49 2
            53   25  26 1
            54   33  50 2
            55   26  27 1
            56   27  22 1
            57   38  51 1

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