KEGG:C09464 Ipecoside ISISHOST03240423222D 1 1.00000 0.00000 8506 43 46 0 1 0 999 V2000 11.1000 -4.6125 0.0000 C 0 0 2 0 0 0 0 0 0 10.3904 -4.1960 0.0000 C 0 0 0 0 0 0 0 0 0 11.8124 -4.2029 0.0000 N 0 0 3 0 0 0 0 0 0 10.3939 -3.3767 0.0000 C 0 0 0 0 0 0 0 0 0 9.6884 -4.6090 0.0000 C 0 0 0 0 0 0 0 0 0 11.8159 -3.3836 0.0000 C 0 0 0 0 0 0 0 0 0 11.1069 -2.9705 0.0000 C 0 0 0 0 0 0 0 0 0 9.6884 -2.9671 0.0000 C 0 0 0 0 0 0 0 0 0 8.9760 -4.1960 0.0000 C 0 0 0 0 0 0 0 0 0 8.9760 -3.3767 0.0000 C 0 0 0 0 0 0 0 0 0 8.2595 -4.6056 0.0000 O 0 0 0 0 0 0 0 0 0 8.2595 -2.9671 0.0000 O 0 0 0 0 0 0 0 0 0 10.6037 -4.8852 0.0000 H 0 0 0 0 0 0 0 0 0 11.8078 -7.2286 0.0000 C 0 0 2 0 0 0 0 0 0 11.8078 -6.4224 0.0000 C 0 0 1 0 0 0 0 0 0 12.4960 -7.6348 0.0000 C 0 0 2 0 0 0 0 0 0 11.1195 -7.6245 0.0000 C 0 0 0 0 0 0 0 0 0 12.4960 -6.0232 0.0000 C 0 0 0 0 0 0 0 0 0 11.1029 -6.0148 0.0000 C 0 0 0 0 0 0 0 0 0 13.0711 -8.5533 0.0000 O 0 0 0 0 0 0 0 0 0 13.1953 -7.2286 0.0000 O 0 0 0 0 0 0 0 0 0 10.4306 -7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 13.1953 -6.4224 0.0000 C 0 0 0 0 0 0 0 0 0 12.4926 -5.2315 0.0000 C 0 0 0 0 0 0 0 0 0 12.0518 -9.0457 0.0000 C 0 0 2 0 0 0 0 0 0 13.1849 -4.8322 0.0000 O 0 0 0 0 0 0 0 0 0 11.8009 -4.8357 0.0000 O 0 0 0 0 0 0 0 0 0 11.3637 -8.6464 0.0000 O 0 0 0 0 0 0 0 0 0 12.0518 -9.8374 0.0000 C 0 0 1 0 0 0 0 0 0 13.8697 -5.2315 0.0000 C 0 0 0 0 0 0 0 0 0 10.6754 -9.0457 0.0000 C 0 0 1 0 0 0 0 0 0 11.3637 -10.2401 0.0000 C 0 0 2 0 0 0 0 0 0 12.7477 -10.2401 0.0000 O 0 0 0 0 0 0 0 0 0 10.6754 -9.8374 0.0000 C 0 0 2 0 0 0 0 0 0 9.9900 -8.6464 0.0000 C 0 0 0 0 0 0 0 0 0 11.3637 -11.0318 0.0000 O 0 0 0 0 0 0 0 0 0 9.9900 -10.2401 0.0000 O 0 0 0 0 0 0 0 0 0 9.3810 -9.1595 0.0000 O 0 0 0 0 0 0 0 0 0 11.8078 -8.0203 0.0000 H 0 0 0 0 0 0 0 0 0 11.8078 -5.6238 0.0000 H 0 0 0 0 0 0 0 0 0 12.5125 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 13.2231 -4.1879 0.0000 C 0 0 0 0 0 0 0 0 0 12.5034 -2.9709 0.0000 O 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 2 4 2 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 8 10 2 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 6 7 1 0 0 0 9 10 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 17 1 0 0 0 15 18 1 0 0 0 15 19 1 0 0 0 16 20 1 1 0 0 16 21 1 0 0 0 17 22 2 0 0 0 18 23 2 0 0 0 18 24 1 0 0 0 25 20 1 1 0 0 24 26 1 0 0 0 24 27 2 0 0 0 25 28 1 0 0 0 25 29 1 0 0 0 26 30 1 0 0 0 28 31 1 0 0 0 29 32 1 0 0 0 29 33 1 6 0 0 31 34 1 0 0 0 31 35 1 1 0 0 32 36 1 1 0 0 34 37 1 6 0 0 35 38 1 0 0 0 21 23 1 0 0 0 32 34 1 0 0 0 14 39 1 1 0 0 15 40 1 1 0 0 19 1 1 0 0 0 1 13 1 1 0 0 3 41 1 0 0 0 1 2 1 0 0 0 41 42 1 0 0 0 41 43 2 0 0 0 M END