KEGG:C00933 Sinapoylcholine ISISHOST03240423032D 1 1.00000 0.00000 886 22 22 0 0 0 999 V2000 0.9103 -0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0.9138 -1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 1.6172 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0.2172 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 1.6241 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 2.3207 -0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0.2138 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 2.3345 -1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 1.6207 -2.4621 0.0000 O 0 0 0 0 0 0 0 0 0 3.0207 -0.0310 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4897 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 3.0276 -1.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0.9207 -2.8655 0.0000 C 0 0 0 0 0 0 0 0 0 3.7207 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1862 0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4897 1.9690 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8897 1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5862 0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6034 1.2690 0.0000 N 0 3 3 0 0 0 0 0 0 -4.3035 0.8621 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6069 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3069 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 4 7 2 0 0 0 5 8 2 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 7 11 1 0 0 0 8 12 1 0 0 0 9 13 1 0 0 0 10 14 1 0 0 0 11 15 1 0 0 0 11 16 2 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 6 8 1 0 0 0 M CHG 1 19 1 M END