KEGG:C00758 Bergaptol ISISHOST03240423022D 1 1.00000 0.00000 721 15 17 0 0 0 999 V2000 0.3448 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0.3448 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3138 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 1.0035 0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3138 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 1.0069 -0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9621 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3138 1.4552 0.0000 O 0 0 0 0 0 0 0 0 0 1.6655 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9621 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 1.6690 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6828 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6828 -0.6621 0.0000 O 0 0 0 0 0 0 0 0 0 2.3207 -0.8069 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1241 -0.0448 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 2 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 7 12 1 0 0 0 10 13 1 0 0 0 11 14 2 0 0 0 12 15 2 0 0 0 7 10 2 0 0 0 9 11 1 0 0 0 13 15 1 0 0 0 M END