KEGG:C12724 Ethynodiol diacetate ISISHOST11190423392D 1 1.00000 0.00000 15651 32 35 0 1 0 999 V2000 1.7890 0.7012 0.0000 C 0 0 1 0 0 0 0 0 0 1.0925 0.2977 0.0000 C 0 0 2 0 0 0 0 0 0 2.4856 0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 2.4890 1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 1.7821 1.5115 0.0000 O 0 0 0 0 0 0 0 0 0 1.0925 -0.5057 0.0000 C 0 0 1 0 0 0 0 0 0 0.3959 0.7046 0.0000 C 0 0 0 0 0 0 0 0 0 1.0890 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 2.4821 -0.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0.3925 -0.9092 0.0000 C 0 0 1 0 0 0 0 0 0 -0.3041 0.3012 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3075 -0.5057 0.0000 C 0 0 2 0 0 0 0 0 0 0.3959 -1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0041 -0.9092 0.0000 C 0 0 2 0 0 0 0 0 0 -0.3110 -1.3092 0.0000 H 0 0 0 0 0 0 0 0 0 -0.3041 -2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0041 -1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7041 -0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0110 -0.1023 0.0000 H 0 0 0 0 0 0 0 0 0 -1.7041 -2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4041 -0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4041 -1.7195 0.0000 C 0 0 2 0 0 0 0 0 0 1.0890 -1.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0.3821 -0.0850 0.0000 H 0 0 0 0 0 0 0 0 0 -3.1184 -2.1323 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8330 -1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5473 -2.1328 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8333 -0.8950 0.0000 O 0 0 0 0 0 0 0 0 0 3.2000 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 1.7750 2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 2.4859 2.7562 0.0000 C 0 0 0 0 0 0 0 0 0 1.0570 2.7438 0.0000 O 0 0 0 0 0 0 0 0 0 10 12 1 0 0 0 10 13 1 0 0 0 12 14 1 0 0 0 12 15 1 6 0 0 13 16 1 0 0 0 14 17 1 0 0 0 14 18 1 0 0 0 14 19 1 1 0 0 17 20 2 0 0 0 18 21 1 0 0 0 20 22 1 0 0 0 6 9 1 0 0 0 11 12 1 0 0 0 16 17 1 0 0 0 21 22 1 0 0 0 6 23 1 6 0 0 10 24 1 1 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 6 0 0 22 25 1 1 0 0 1 5 1 1 0 0 25 26 1 0 0 0 2 6 1 0 0 0 26 27 1 0 0 0 2 7 1 0 0 0 26 28 2 0 0 0 2 8 1 1 0 0 4 29 3 0 0 0 3 9 1 0 0 0 5 30 1 0 0 0 6 10 1 0 0 0 30 31 1 0 0 0 7 11 1 0 0 0 30 32 2 0 0 0 M END