KEGG   COMPOUND: C11956
Entry
C11956                      Compound                               
Name
Avermectin A2b aglycone
Formula
C34H50O9
Exact mass
602.3455
Mol weight
602.7554
Structure
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
Enzyme
2.1.1.-         2.4.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C11956  Avermectin A2b aglycone
Other DBs
PubChem: 14117
ChEBI: 29532
NIKKAJI: J2.778.582D
LinkDB
KCF data

ATOM        43
            1   C1z C    27.4146  -12.4061
            2   O2x O    28.6016  -13.0921
            3   C1y C    29.7892  -12.4074
            4   C1y C    29.7897  -11.0364
            5   C1y C    28.6029  -10.3504
            6   C1x C    27.4151  -11.0353
            7   C1x C    23.8307  -11.7201
            8   C2x C    22.6340  -12.4061
            9   C2y C    21.4366  -11.7148
            10  C1y C    20.2388  -12.4061
            11  C1y C    20.2388  -13.7891
            12  C1y C    25.0272  -12.4061
            13  C1x C    27.4167  -13.7993
            14  O2x O    26.2278  -11.7198
            15  C1y C    26.2160  -14.4856
            16  C1x C    25.0287  -13.7915
            17  O7x O    26.2085  -15.8611
            18  C2x C    21.4397  -14.4786
            19  C2x C    21.4397  -15.8577
            20  C2x C    22.6322  -16.5398
            21  C2y C    22.6246  -17.9166
            22  C7x C    25.0170  -16.5529
            23  C1y C    25.0094  -17.9296
            24  C1z C    23.8177  -18.6065
            25  C1y C    23.8083  -19.9768
            26  C1y C    24.9901  -20.6704
            27  C2y C    26.1815  -19.9935
            28  C2x C    26.1912  -18.6233
            29  C1a C    21.4366  -10.3318
            30  O1a O    19.0411  -11.7148
            31  C1a C    19.0418  -14.4820
            32  C1x C    21.4248  -18.6044
            33  O1a O    23.8694  -17.2193
            34  O2a O    24.9804  -22.0531
            35  C1a C    27.3743  -20.6934
            36  O6a O    23.8203  -15.8595
            37  C1a C    30.9877  -10.3454
            38  C1c C    30.9864  -13.0995
            39  C1a C    30.9859  -14.4822
            40  C1a C    32.1844  -12.4085
            41  O2x O    21.4036  -19.9851
            42  C1a C    26.1732  -22.7530
            43  O1a O    28.6034   -8.9673
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 1 #Up
            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   32  41 1
            42   25  41 1
            43   19  20 1
            44   34  42 1
            45    4   5 1
            46    5  43 1 #Down
            47    8   9 2

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