KEGG   RPAIR: RP05524Help
Entry
RP05524                     RPair                                  

Name
C02576_C11924
Compound
C02576  
Perillyl aldehyde
C11924  
Perillic acid
Type
main
RDM
1
1     C4a-C6a:*-O6a:C2y+O4a-C2y+O6a
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       11
            1     1:C1y   3:C1y
            2     2:C1x   2:C1x
            3     3:C1x   4:C1x
            4     4:C2c  10:C2c
            5     5:C1x   1:C1x
            6     6:C2x   5:C2x
            7     7:C1a  11:C1a
            8     8:C2a  12:C2a
            9     9:C2y   6:C2y #M1
            10   10:C4a   7:C6a #R1
            11   11:O4a   9:O6a #M1
            -       *     8:O6a #D1
ENTRY1      
 COMPOUND  C02576
 ATOM      11
            1   C1y C    -0.0586   -0.5897
            2   C1x C    -0.7103   -0.2069
            3   C1x C     0.6000   -0.2069
            4   C2c C    -0.0621   -1.3379
            5   C1x C    -0.7103    0.5517
            6   C2x C     0.6000    0.5517
            7   C1a C    -0.7103   -1.7103
            8   C2a C     0.5862   -1.7172
            9   C2y C    -0.0586    0.9276
            10  C4a C    -0.0621    1.6793
            11  O4a O     0.5862    2.0552
 BOND      11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     9  10 1
            10   10  11 2
            11    6   9 2
ENTRY2      
 COMPOUND  C11924
 ATOM      12
            1   C1x C     4.3500  -11.7708
            2   C1x C     4.3500  -12.6000
            3   C1y C     5.0704  -13.0167
            4   C1x C     5.7865  -12.6000
            5   C2x C     5.7865  -11.7708
            6   C2y C     5.0704  -11.3583
            7   C6a C     5.0625  -10.5292
            8   O6a O     5.7792  -10.1083
            9   O6a O     4.3417  -10.1125
            10  C2c C     5.0625  -13.8458
            11  C1a C     5.7792  -14.2583
            12  C2a C     4.3417  -14.2542
 BOND      12
            1     6   1 1
            2     6   7 1
            3     1   2 1
            4     7   8 1
            5     2   3 1
            6     7   9 2
            7     3   4 1
            8     3  10 1
            9     4   5 1
            10   10  11 1
            11    5   6 2
            12   10  12 2

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