KEGG:C10109 Neocarlinoside ISISHOST03240423242D 1 1.00000 0.00000 9151 41 45 0 1 0 999 V2000 0.5310 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1862 0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0.5241 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 1.2483 0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1655 1.2138 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9069 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1862 -1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 1.2414 -1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 1.9621 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8690 1.6448 0.0000 C 0 0 1 0 0 0 0 0 0 0.5586 1.6035 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9069 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6241 0.3897 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1862 -2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 1.9586 -0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 1.2379 -2.1034 0.0000 O 0 0 0 0 0 0 0 0 0 2.6828 0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8483 2.4655 0.0000 C 0 0 2 0 0 0 0 0 0 -1.5931 1.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0.5828 2.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6207 -1.2690 0.0000 C 0 0 2 0 0 0 0 0 0 2.6828 1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 3.3966 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1207 2.8621 0.0000 C 0 0 2 0 0 0 0 0 0 -1.5517 2.8966 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3345 -0.8586 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6207 -2.0966 0.0000 C 0 0 1 0 0 0 0 0 0 3.4034 1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 4.1172 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1000 3.6862 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0517 -1.2690 0.0000 C 0 0 1 0 0 0 0 0 0 -2.3345 -2.5069 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9069 -2.5069 0.0000 O 0 0 0 0 0 0 0 0 0 4.1207 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 3.4069 2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0517 -2.0966 0.0000 C 0 0 2 0 0 0 0 0 0 -3.7655 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3345 -3.3310 0.0000 O 0 0 0 0 0 0 0 0 0 4.8414 1.6103 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7655 -2.5069 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4793 -1.2690 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 5 2 1 6 0 0 2 6 2 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 5 11 1 0 0 0 6 12 1 0 0 0 6 13 1 0 0 0 7 14 1 0 0 0 8 15 1 0 0 0 8 16 2 0 0 0 9 17 1 0 0 0 10 18 1 0 0 0 10 19 1 6 0 0 11 20 1 0 0 0 21 12 1 1 0 0 17 22 1 0 0 0 17 23 2 0 0 0 18 24 1 0 0 0 18 25 1 1 0 0 21 26 1 0 0 0 21 27 1 0 0 0 22 28 2 0 0 0 23 29 1 0 0 0 24 30 1 1 0 0 26 31 1 0 0 0 27 32 1 0 0 0 27 33 1 6 0 0 28 34 1 0 0 0 28 35 1 0 0 0 31 36 1 0 0 0 31 37 1 1 0 0 32 38 1 1 0 0 34 39 1 0 0 0 36 40 1 6 0 0 37 41 1 0 0 0 7 12 2 0 0 0 9 15 2 0 0 0 20 24 1 0 0 0 29 34 2 0 0 0 32 36 1 0 0 0 M END