KEGG   COMPOUND: C11969
Entry
C11969                      Compound                               

Name
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone
Formula
C34H50O8
Exact mass
586.3506
Mol weight
586.756
Structure
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
Enzyme
1.14.-.-
Other DBs
PubChem: 14130
ChEBI: 138851
3DMET: B04389
NIKKAJI: J2.778.608A
KCF data

ATOM        42
            1   C1z C    25.3532  -16.6789
            2   O2x O    26.5586  -17.3755
            3   C1y C    27.7645  -16.6799
            4   C1y C    27.7650  -15.2879
            5   C1y C    26.5599  -14.5913
            6   C1x C    25.3537  -15.2866
            7   C1x C    21.7139  -15.9823
            8   C2x C    20.4986  -16.6789
            9   C2y C    19.2826  -15.9767
            10  C1y C    18.0663  -16.6789
            11  C1y C    18.0663  -18.0833
            12  C1y C    22.9288  -16.6789
            13  C1x C    25.3553  -18.0937
            14  O2x O    24.1480  -15.9820
            15  C1y C    24.1361  -18.7906
            16  C1x C    22.9304  -18.0857
            17  O7x O    24.1284  -20.1871
            18  C2x C    19.2858  -18.7834
            19  C2x C    19.2858  -20.1839
            20  C2x C    20.4968  -20.8762
            21  C2y C    20.4891  -22.2746
            22  C7x C    22.9185  -20.8898
            23  C1y C    22.9108  -22.2879
            24  C1z C    21.7006  -22.9753
            25  C1x C    21.6910  -24.3667
            26  C5x C    22.8911  -25.0708
            27  C2y C    24.1010  -24.3837
            28  C2x C    24.1109  -22.9920
            29  C1a C    19.2826  -14.5722
            30  O1a O    16.8500  -15.9767
            31  C1a C    16.8508  -18.7868
            32  C1a C    19.2707  -22.9729
            33  O1a O    21.8220  -21.5666
            34  O5x O    22.8813  -26.4753
            35  C1a C    25.3123  -25.0944
            36  O6a O    21.7032  -20.1857
            37  C1a C    28.9816  -14.5863
            38  C1c C    28.9803  -17.3826
            39  C1a C    28.9797  -18.7871
            40  C1b C    30.1968  -16.6813
            41  C1a C    31.4128  -17.3840
            42  O1a O    26.5604  -13.1869
BOND        45
            1     4   5 1
            2     8   9 2
            3     9  10 1
            4    20  21 2
            5    21  24 1
            6    23  22 1 #Down
            7    10  11 1
            8    11  18 1
            9     5   6 1
            10    1   6 1 #Up
            11   12  16 1
            12   23  24 1
            13   24  25 1
            14   25  26 1
            15   26  27 1
            16   27  28 2
            17   28  23 1
            18   15  13 1
            19    9  29 1
            20   13   1 1
            21   10  30 1 #Down
            22    1  14 1
            23   11  31 1 #Down
            24   14  12 1
            25   21  32 1
            26   12   7 1 #Up
            27   24  33 1 #Down
            28    7   8 1
            29   26  34 2
            30    1   2 1 #Down
            31   27  35 1
            32   15  16 1
            33   22  36 2
            34   22  17 1
            35    4  37 1 #Down
            36   15  17 1 #Up
            37    3  38 1 #Up
            38    2   3 1
            39   38  39 1
            40    3   4 1
            41   38  40 1
            42   18  19 2
            43   40  41 1
            44   19  20 1
            45    5  42 1 #Down

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