KEGG:C08783 Simalikilactone D ISISHOST03240423212D 1 1.00000 0.00000 7823 38 42 0 0 0 999 V2000 -0.2103 -0.2069 0.0000 C 0 0 1 0 0 0 0 0 0 0.5207 0.2069 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9310 0.2172 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2138 -1.0448 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4793 0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0.5276 1.0448 0.0000 C 0 0 2 0 0 0 0 0 0 1.2483 -0.2172 0.0000 C 0 0 2 0 0 0 0 0 0 -1.6655 -0.2000 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9241 1.0586 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9379 -1.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0.5103 -1.4759 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1379 1.0379 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1966 1.4724 0.0000 C 0 0 2 0 0 0 0 0 0 1.2586 1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 1.2414 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 1.9724 0.2103 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6690 -1.0414 0.0000 C 0 0 1 0 0 0 0 0 0 -2.3897 0.2207 0.0000 C 0 0 1 0 0 0 0 0 0 -1.6724 0.6414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6586 1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1897 2.3138 0.0000 O 0 0 0 0 0 0 0 0 0 1.9655 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 2.7034 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3897 -1.4655 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1241 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3897 1.0621 0.0000 O 0 0 0 0 0 0 0 0 0 3.4276 0.2207 0.0000 C 0 0 1 0 0 0 0 0 0 2.7103 -1.0448 0.0000 O 0 0 0 0 0 0 0 0 0 -3.1241 -1.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3862 -2.3069 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8483 0.2207 0.0000 O 0 0 0 0 0 0 0 0 0 4.1552 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 3.4207 1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 4.8828 0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0.5138 -0.6172 0.0000 H 0 0 0 0 0 0 0 0 0 -0.9379 -0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 -0.2207 -1.8655 0.0000 H 0 0 0 0 0 0 0 0 0 -1.6759 -1.8621 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 1 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 4 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 6 14 1 0 0 0 7 15 1 0 0 0 7 16 1 1 0 0 8 17 1 0 0 0 8 18 1 0 0 0 8 19 1 1 0 0 9 20 1 1 0 0 13 21 1 6 0 0 15 22 2 0 0 0 16 23 1 0 0 0 17 24 1 0 0 0 18 25 1 0 0 0 18 26 1 1 0 0 23 27 1 0 0 0 23 28 2 0 0 0 24 29 2 0 0 0 24 30 1 0 0 0 25 31 2 0 0 0 27 32 1 0 0 0 27 33 1 6 0 0 32 34 1 0 0 0 6 12 1 1 0 0 9 13 1 0 0 0 10 17 1 0 0 0 11 15 1 0 0 0 25 29 1 0 0 0 2 35 1 1 0 0 3 36 1 6 0 0 4 37 1 1 0 0 17 38 1 6 0 0 M END