HMDB0258983 RDKit 3D Thiencynonate 54 57 0 0 0 0 0 0 0 0999 V2000 4.7404 -0.6466 -2.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 -0.5213 -1.4567 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 0.8122 -1.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 1.3030 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 1.5114 0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6224 0.9058 2.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4003 -0.5959 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -0.9473 0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5558 -1.2828 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 0.2217 0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6288 -0.0995 -0.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6476 0.0417 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 0.4760 1.4165 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -0.2581 -0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5461 -0.7111 -1.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 1.0542 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1903 1.5140 -1.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 2.7135 -1.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7392 3.3892 -0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 2.3211 0.3982 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7845 -1.2294 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0189 -1.4665 -0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1507 -1.7237 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4892 -1.7945 1.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3698 -0.7586 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6174 -0.4866 -1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8026 0.0894 -3.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8423 -1.6649 -2.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2317 1.0191 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 1.4900 -1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 2.2500 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 2.6153 0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 1.1424 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 1.1465 2.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7863 1.4113 2.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.8695 3.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3545 -1.1523 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9655 -1.8042 1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3899 -2.3676 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6104 -1.2564 0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 0.5730 1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6648 -1.1757 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 0.8873 -2.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 3.1867 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 4.3838 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 -2.2244 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3086 -0.6223 -1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 -2.3786 -1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8533 -0.8444 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7596 -2.5921 0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 -2.7980 1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1769 -1.5216 2.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8721 0.2079 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 -0.8730 2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 14 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 9 2 1 0 20 16 1 0 25 21 1 0 10 4 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 15 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 24 51 1 0 24 52 1 0 25 53 1 0 25 54 1 0 M END