KEGG:C00841 Xanthotoxol ISISHOST03240423032D 1 1.00000 0.00000 799 15 17 0 0 0 999 V2000 -0.6690 -0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5793 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0.4897 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9483 -0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0.6862 1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7552 1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 1.7690 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0.3862 -2.5828 0.0000 O 0 0 0 0 0 0 0 0 0 -3.1241 -0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 1.8655 0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0345 1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 3.0862 -1.0655 0.0000 O 0 0 0 0 0 0 0 0 0 -4.4103 -0.8345 0.0000 O 0 0 0 0 0 0 0 0 0 3.2448 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 3.9931 0.0069 0.0000 C 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 2 5 2 0 0 0 2 6 1 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 6 11 2 0 0 0 7 12 1 0 0 0 9 13 2 0 0 0 10 14 1 0 0 0 12 15 1 0 0 0 7 10 2 0 0 0 9 11 1 0 0 0 14 15 2 0 0 0 M END