KEGG:C08935 Cimicifugoside ISISHOST03240423212D 1 1.00000 0.00000 7975 53 61 0 0 0 999 V2000 1.5250 -14.6708 0.0000 C 0 0 1 0 0 0 0 0 0 1.5306 -15.4882 0.0000 C 0 0 1 0 0 0 0 0 0 0.8136 -14.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0.8279 -15.9049 0.0000 C 0 0 2 0 0 0 0 0 0 2.2419 -15.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0.1093 -14.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0.1166 -15.5024 0.0000 C 0 0 1 0 0 0 0 0 0 0.8352 -16.7192 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5844 -15.9160 0.0000 O 0 0 0 0 0 0 0 0 0 5.0764 -12.6339 0.0000 C 0 0 2 0 0 0 0 0 0 4.3661 -13.0408 0.0000 C 0 0 2 0 0 0 0 0 0 5.7764 -13.0477 0.0000 C 0 0 0 0 0 0 0 0 0 4.3592 -12.2236 0.0000 C 0 0 0 0 0 0 0 0 0 5.0799 -11.8201 0.0000 C 0 0 0 0 0 0 0 0 0 4.3626 -13.8581 0.0000 C 0 0 1 0 0 0 0 0 0 3.6592 -12.6305 0.0000 C 0 0 0 0 0 0 0 0 0 6.4833 -12.6443 0.0000 C 0 0 1 0 0 0 0 0 0 5.7764 -13.8650 0.0000 C 0 0 0 0 0 0 0 0 0 5.7902 -11.4201 0.0000 C 0 0 2 0 0 0 0 0 0 5.0661 -14.2684 0.0000 C 0 0 0 0 0 0 0 0 0 3.6592 -14.2650 0.0000 C 0 0 3 0 0 0 0 0 0 2.9523 -13.0408 0.0000 C 0 0 0 0 0 0 0 0 0 6.4936 -11.8339 0.0000 C 0 0 2 0 0 0 0 0 0 7.8867 -12.6615 0.0000 C 0 0 0 0 0 0 0 0 0 6.4764 -13.4581 0.0000 C 0 0 0 0 0 0 0 0 0 5.7833 -10.5995 0.0000 O 0 0 0 0 0 0 0 0 0 2.9523 -13.8581 0.0000 C 0 0 2 0 0 0 0 0 0 3.8695 -15.0546 0.0000 C 0 0 0 0 0 0 0 0 0 3.2419 -14.9684 0.0000 C 0 0 0 0 0 0 0 0 0 7.2005 -11.4339 0.0000 C 0 0 2 0 0 0 0 0 0 6.4902 -11.0167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8971 -11.8512 0.0000 C 0 0 1 0 0 0 0 0 0 5.0799 -10.1891 0.0000 C 0 0 0 0 0 0 0 0 0 2.2454 -14.2650 0.0000 O 0 0 0 0 0 0 0 0 0 7.2109 -10.6236 0.0000 C 0 0 1 0 0 0 0 0 0 8.6040 -11.4546 0.0000 O 0 0 0 0 0 0 0 0 0 4.3764 -10.5995 0.0000 C 0 0 0 0 0 0 0 0 0 5.0799 -9.3753 0.0000 O 0 0 0 0 0 0 0 0 0 7.9212 -10.2270 0.0000 C 0 0 0 0 0 0 0 0 0 6.5109 -10.2064 0.0000 C 0 0 0 0 0 0 0 0 0 8.6109 -10.6443 0.0000 C 0 0 3 0 0 0 0 0 0 8.7833 -9.8512 0.0000 C 0 0 3 0 0 0 0 0 0 9.3178 -11.0512 0.0000 O 0 0 0 0 0 0 0 0 0 9.5902 -9.7684 0.0000 C 0 0 3 0 0 0 0 0 0 9.1109 -9.1133 0.0000 O 0 0 0 0 0 0 0 0 0 9.9178 -10.5064 0.0000 C 0 0 3 0 0 0 0 0 0 10.3936 -9.6305 0.0000 C 0 0 0 0 0 0 0 0 0 10.7178 -10.6788 0.0000 O 0 0 0 0 0 0 0 0 0 4.3592 -14.6788 0.0000 H 0 0 0 0 0 0 0 0 0 7.1971 -12.2581 0.0000 H 0 0 0 0 0 0 0 0 0 8.6074 -12.2615 0.0000 H 0 0 0 0 0 0 0 0 0 8.0661 -9.4374 0.0000 H 0 0 0 0 0 0 0 0 0 10.1292 -11.3000 0.0000 H 0 0 0 0 0 0 0 0 0 2 5 1 6 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 1 0 0 7 9 1 6 0 0 6 7 1 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 10 13 1 1 0 0 10 14 1 0 0 0 11 15 1 0 0 0 11 16 1 0 0 0 12 17 1 0 0 0 12 18 2 0 0 0 14 19 1 0 0 0 15 20 1 0 0 0 15 21 1 0 0 0 16 22 1 0 0 0 17 23 1 0 0 0 17 24 1 0 0 0 17 25 1 6 0 0 19 26 1 1 0 0 21 27 1 0 0 0 21 28 1 0 0 0 21 29 1 0 0 0 23 30 1 0 0 0 23 31 1 1 0 0 24 32 1 0 0 0 26 33 1 0 0 0 27 34 1 1 0 0 30 35 1 0 0 0 32 36 1 0 0 0 33 37 1 0 0 0 33 38 2 0 0 0 35 39 1 0 0 0 35 40 1 6 0 0 36 41 1 0 0 0 41 42 1 0 0 0 41 43 1 4 0 0 42 44 1 0 0 0 42 45 1 0 0 0 43 46 1 0 0 0 44 47 1 4 0 0 46 48 1 0 0 0 11 13 1 1 0 0 18 20 1 0 0 0 19 23 1 0 0 0 22 27 1 0 0 0 30 32 1 0 0 0 39 41 1 0 0 0 44 45 1 0 0 0 44 46 1 0 0 0 15 49 1 6 0 0 30 50 1 6 0 0 32 51 1 6 0 0 42 52 1 4 0 0 2 4 1 0 0 0 46 53 1 4 0 0 1 34 1 1 0 0 M END