KEGG   COMPOUND: C11954Help
Entry
C11954                      Compound                               

Name
5-Oxoavermectin ''2b'' aglycone
Formula
C33H46O9
Exact mass
586.3142
Mol weight
586.7129
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
Enzyme
1.14.-.-
Other DBs
PubChem: 14115
ChEBI: 138812 138813
NIKKAJI: J2.778.550F
KCF data Show

ATOM        42
            1   C1z C    26.9836  -14.1650
            2   O2x O    28.1003  -14.8509
            3   C1y C    29.2876  -14.1660
            4   C1y C    29.2883  -12.7957
            5   C1y C    28.1016  -12.1098
            6   C1x C    26.9144  -12.7943
            7   C1x C    23.3307  -13.4792
            8   C2x C    22.1346  -14.1650
            9   C2y C    20.9372  -13.4737
            10  C1y C    19.7397  -14.1650
            11  C1y C    19.7397  -15.5477
            12  C1y C    24.5271  -14.1650
            13  C1x C    26.9157  -15.5579
            14  O2x O    25.7274  -13.4789
            15  C1y C    25.7154  -16.2440
            16  C1x C    24.5287  -15.5500
            17  O7x O    25.7078  -17.6188
            18  C2x C    20.9403  -16.2369
            19  C2x C    20.9403  -17.6157
            20  C2x C    22.1325  -18.2974
            21  C2y C    22.1249  -19.6740
            22  C7x C    24.5167  -18.3107
            23  C1y C    24.5091  -19.6871
            24  C1z C    23.3179  -20.3638
            25  C1y C    23.3082  -21.7337
            26  C5x C    24.4897  -22.4268
            27  C2y C    25.6809  -21.7504
            28  C2x C    25.6906  -20.3802
            29  C1a C    20.9372  -12.0912
            30  O1a O    18.5426  -13.4737
            31  C1a C    18.5433  -16.2403
            32  C1x C    20.9254  -20.3614
            33  O1a O    23.3694  -18.9769
            34  O5x O    24.4801  -23.8095
            35  C1a C    26.8736  -22.4501
            36  O6a O    23.3203  -17.6175
            37  C1a C    30.4860  -12.1048
            38  C1c C    30.4847  -14.8579
            39  C1a C    30.4839  -16.2406
            40  C1a C    31.6824  -14.1674
            41  O2x O    20.9042  -21.7420
            42  O1a O    28.1022  -10.7271
BOND        46
            1     8   9 2
            2     9  10 1
            3    20  21 2
            4    21  24 1
            5    23  22 1 #Down
            6    10  11 1
            7    11  18 1
            8     5   6 1
            9     1   6 1 #Up
            10   12  16 1
            11   23  24 1
            12   24  25 1
            13   25  26 1
            14   26  27 1
            15   27  28 2
            16   28  23 1
            17   15  13 1
            18    9  29 1
            19   13   1 1
            20   10  30 1 #Down
            21    1  14 1
            22   11  31 1 #Down
            23   14  12 1
            24   21  32 1
            25   12   7 1 #Up
            26   24  33 1 #Down
            27    7   8 1
            28   26  34 2
            29    1   2 1 #Down
            30   27  35 1
            31   15  16 1
            32   22  36 2
            33   22  17 1
            34    4  37 1 #Down
            35   15  17 1 #Up
            36    3  38 1 #Up
            37    2   3 1
            38   38  39 1
            39    3   4 1
            40   38  40 1
            41   18  19 2
            42   32  41 1
            43   25  41 1
            44   19  20 1
            45    5  42 1 #Down
            46    4   5 1

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