KEGG   COMPOUND: C11970
Entry
C11970                      Compound                               

Name
5-Oxoavermectin ''2a'' aglycone
Formula
C34H48O9
Exact mass
600.3298
Mol weight
600.7395
Structure
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
Enzyme
1.14.-.-
Other DBs
PubChem: 14131
3DMET: B05588
NIKKAJI: J2.778.609J
KCF data

ATOM        43
            1   C1z C    26.3587  -14.1658
            2   O2x O    27.5457  -14.8518
            3   C1y C    28.7332  -14.1668
            4   C1y C    28.7337  -12.7958
            5   C1y C    27.5470  -12.1098
            6   C1x C    26.3592  -12.7948
            7   C1x C    22.7750  -13.4798
            8   C2x C    21.5783  -14.1658
            9   C2y C    20.3808  -13.4743
            10  C1y C    19.1831  -14.1658
            11  C1y C    19.1831  -15.5485
            12  C1y C    23.9714  -14.1658
            13  C1x C    26.3608  -15.5587
            14  O2x O    25.1720  -13.4792
            15  C1y C    25.1603  -16.2453
            16  C1x C    23.9730  -15.5509
            17  O7x O    25.1527  -17.6205
            18  C2x C    20.3840  -16.2380
            19  C2x C    20.3840  -17.6171
            20  C2x C    21.5765  -18.2992
            21  C2y C    21.5689  -19.6758
            22  C7x C    23.9612  -18.3122
            23  C1y C    23.9536  -19.6891
            24  C1z C    22.7619  -20.3658
            25  C1y C    22.7525  -21.7362
            26  C5x C    23.9343  -22.4296
            27  C2y C    25.1258  -21.7527
            28  C2x C    25.1354  -20.3825
            29  C1a C    20.3808  -12.0912
            30  O1a O    17.9855  -13.4743
            31  C1a C    17.9863  -16.2416
            32  C1x C    20.3691  -20.3637
            33  O1a O    22.8136  -18.9785
            34  O5x O    23.9246  -23.8126
            35  C1a C    26.3184  -22.4526
            36  O6a O    22.7645  -17.6191
            37  C1a C    29.9317  -12.1051
            38  C1c C    29.9304  -14.8589
            39  C1a C    29.9299  -16.2419
            40  C1b C    31.1284  -14.1679
            41  C1a C    32.3259  -14.8599
            42  O2x O    20.3479  -21.7446
            43  O1a O    27.5475  -10.7271
BOND        47
            1     9  10 1
            2    20  21 2
            3    21  24 1
            4    23  22 1 #Down
            5    10  11 1
            6    11  18 1
            7     5   6 1
            8     1   6 1 #Up
            9    12  16 1
            10   23  24 1
            11   24  25 1
            12   25  26 1
            13   26  27 1
            14   27  28 2
            15   28  23 1
            16   15  13 1
            17    9  29 1
            18   13   1 1
            19   10  30 1 #Down
            20    1  14 1
            21   11  31 1 #Down
            22   14  12 1
            23   21  32 1
            24   12   7 1 #Up
            25   24  33 1 #Down
            26    7   8 1
            27   26  34 2
            28    1   2 1 #Down
            29   27  35 1
            30   15  16 1
            31   22  36 2
            32   22  17 1
            33    4  37 1 #Down
            34   15  17 1 #Up
            35    3  38 1 #Up
            36    2   3 1
            37   38  39 1
            38    3   4 1
            39   38  40 1
            40   18  19 2
            41   40  41 1
            42   19  20 1
            43   32  42 1
            44   25  42 1
            45    4   5 1
            46    5  43 1 #Down
            47    8   9 2

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