KEGG   COMPOUND: C09169Help
Entry
C09169                      Compound                               

Name
Pleuromutilin;
Pleuromulin
Formula
C22H34O5
Exact mass
378.2406
Mol weight
378.5024
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 125-65-5
PubChem: 11361
ChEBI: 8269
KNApSAcK: C00003473
3DMET: B02737
NIKKAJI: J9.354H
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1z C    31.5285  -20.2539
            2   C1y C    30.5444  -21.2437
            3   C1y C    31.5285  -18.8507
            4   C1x C    32.7803  -20.8943
            5   C1x C    31.5225  -21.7154
            6   C1z C    29.1412  -21.2437
            7   C5x C    31.1732  -22.4956
            8   C1y C    30.5444  -17.8609
            9   C1a C    32.8210  -18.3149
            10  C1x C    32.5590  -22.2801
            11  C1x C    30.1942  -21.6795
            12  C1y C    28.1514  -20.2480
            13  C1y C    29.1353  -22.6411
            14  C1a C    28.3241  -22.3956
            15  O5x O    30.5386  -23.7416
            16  C1z C    29.1412  -17.8609
            17  O1a O    31.0742  -16.5681
            18  C1x C    28.1514  -18.8507
            19  O7a O    26.8529  -20.7895
            20  C1a C    28.7628  -23.9920
            21  C2b C    29.5022  -16.5041
            22  C1a C    28.6056  -16.5681
            23  C7a C    25.6419  -20.0850
            24  C2a C    29.1353  -15.1476
            25  C1b C    24.4307  -20.7895
            26  O6a O    25.6360  -18.6876
            27  O1a O    23.2197  -20.0850
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1 #Up
            13    6  14 1 #Down
            14    7  15 2
            15    8  16 1
            16    8  17 1 #Up
            17   12  18 1
            18   12  19 1 #Down
            19   13  20 1
            20   16  21 1 #Up
            21   16  22 1 #Down
            22   19  23 1
            23   21  24 2
            24   23  25 1
            25   23  26 2
            26   25  27 1
            27    7  10 1
            28   11  13 1
            29   16  18 1

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