KEGG:C09064 Atractyloside ISISHOST03240423212D 1 1.00000 0.00000 8104 52 54 0 1 0 999 V2000 6.8864 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 7.5925 -8.4834 0.0000 C 0 0 0 0 0 0 0 0 0 8.2986 -8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 7.5962 -7.4081 0.0000 C 0 0 1 0 0 0 0 0 0 9.7099 -6.1888 0.0000 C 0 0 1 0 0 0 0 0 0 10.4299 -4.9654 0.0000 C 0 0 1 0 0 0 0 0 0 10.4125 -6.5958 0.0000 C 0 0 2 0 0 0 0 0 0 11.1375 -5.3708 0.0000 C 0 0 0 0 0 0 0 0 0 10.6222 -7.3896 0.0000 O 0 0 0 0 0 0 0 0 0 11.9269 -5.1645 0.0000 C 0 0 0 0 0 0 0 0 0 9.0113 -5.7757 0.0000 C 0 0 2 0 0 0 0 0 0 10.4189 -5.7861 0.0000 C 0 0 0 0 0 0 0 0 0 9.7099 -7.0046 0.0000 C 0 0 0 0 0 0 0 0 0 8.2983 -6.1819 0.0000 C 0 0 1 0 0 0 0 0 0 9.0182 -4.9599 0.0000 C 0 0 0 0 0 0 0 0 0 9.0044 -7.4115 0.0000 C 0 0 0 0 0 0 0 0 0 8.2948 -7.0018 0.0000 C 0 0 2 0 0 0 0 0 0 7.5962 -5.7723 0.0000 C 0 0 0 0 0 0 0 0 0 8.2914 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 9.7237 -4.5607 0.0000 C 0 0 0 0 0 0 0 0 0 6.8874 -6.1819 0.0000 C 0 0 1 0 0 0 0 0 0 6.8874 -7.0018 0.0000 C 0 0 0 0 0 0 0 0 0 6.0986 -5.7348 0.0000 O 0 0 0 0 0 0 0 0 0 5.3029 -6.1758 0.0000 C 0 0 1 0 0 0 0 0 0 5.3029 -6.9949 0.0000 C 0 0 1 0 0 0 0 0 0 4.5898 -5.7654 0.0000 O 0 0 0 0 0 0 0 0 0 4.5932 -7.4046 0.0000 C 0 0 2 0 0 0 0 0 0 5.9701 -7.4012 0.0000 O 0 0 0 0 0 0 0 0 0 3.8844 -6.1750 0.0000 C 0 0 1 0 0 0 0 0 0 3.8844 -6.9984 0.0000 C 0 0 1 0 0 0 0 0 0 4.5967 -8.2204 0.0000 O 0 0 0 0 0 0 0 0 0 5.9667 -8.2135 0.0000 C 0 0 0 0 0 0 0 0 0 3.1754 -5.7654 0.0000 C 0 0 0 0 0 0 0 0 0 3.1789 -7.4046 0.0000 O 0 0 0 0 0 0 0 0 0 3.9016 -8.6439 0.0000 S 0 0 3 0 0 0 0 0 0 5.2681 -8.6266 0.0000 C 0 0 0 0 0 0 0 0 0 6.5964 -8.4947 0.0000 O 0 0 0 0 0 0 0 0 0 3.1685 -4.9461 0.0000 O 0 0 0 0 0 0 0 0 0 2.4734 -7.0018 0.0000 S 0 0 3 0 0 0 0 0 0 3.2185 -9.0238 0.0000 O 0 0 0 0 0 0 0 0 0 3.2725 -8.2889 0.0000 O 0 5 0 0 0 0 0 0 0 4.6173 -9.0362 0.0000 O 0 0 0 0 0 0 0 0 0 5.2784 -9.4424 0.0000 C 0 0 3 0 0 0 0 0 0 1.7291 -6.6614 0.0000 O 0 5 0 0 0 0 0 0 0 2.4699 -6.1819 0.0000 O 0 0 0 0 0 0 0 0 0 2.4699 -7.8177 0.0000 O 0 0 0 0 0 0 0 0 0 4.5723 -9.8589 0.0000 C 0 0 0 0 0 0 0 0 0 5.9839 -9.8451 0.0000 C 0 0 0 0 0 0 0 0 0 9.0044 -6.5922 0.0000 H 0 0 0 0 0 0 0 0 0 8.3331 -7.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0.6792 -6.7458 0.0000 K 0 3 0 0 0 0 0 0 0 2.1792 -8.9958 0.0000 K 0 3 0 0 0 0 0 0 0 4 2 1 6 0 0 8 10 2 0 0 0 1 2 2 0 0 0 5 7 1 1 0 0 2 3 1 0 0 0 6 8 1 1 0 0 8 7 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 5 13 1 0 0 0 11 14 1 0 0 0 11 15 1 0 0 0 12 6 1 0 0 0 13 16 1 0 0 0 14 17 1 0 0 0 14 18 1 0 0 0 14 19 1 6 0 0 15 20 1 0 0 0 17 4 1 0 0 0 18 21 1 0 0 0 4 22 1 0 0 0 21 23 1 1 0 0 24 23 1 1 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 25 28 1 6 0 0 26 29 1 0 0 0 27 30 1 0 0 0 27 31 1 1 0 0 28 32 1 0 0 0 29 33 1 1 0 0 30 34 1 6 0 0 31 35 1 0 0 0 32 36 1 0 0 0 32 37 2 0 0 0 33 38 1 0 0 0 34 39 1 0 0 0 35 40 2 0 0 0 35 41 1 0 0 0 35 42 2 0 0 0 36 43 1 0 0 0 39 44 1 0 0 0 39 45 2 0 0 0 39 46 2 0 0 0 43 47 1 0 0 0 43 48 1 0 0 0 6 20 1 0 0 0 16 17 1 0 0 0 21 22 1 0 0 0 29 30 1 0 0 0 11 49 1 1 0 0 17 50 1 1 0 0 7 9 1 6 0 0 M CHG 4 41 -1 44 -1 51 1 52 1 M END