HMDB0258889 RDKit 3D Tetradecylthioacetic acid 51 50 0 0 0 0 0 0 0 0999 V2000 -5.4991 2.2556 0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9624 1.0613 0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5227 -0.2420 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9723 -0.2840 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5976 -1.5840 -0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 -1.8939 -0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3648 -1.0706 -1.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1935 0.3498 -1.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 0.9712 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6824 0.6575 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9503 -0.7538 0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.8608 1.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3155 -0.4329 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7811 -0.5504 0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 0.0002 -0.8385 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5331 -0.0923 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8329 0.8874 0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9957 1.0056 1.0331 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8359 1.6775 1.1134 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2352 3.0911 0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5518 2.6617 0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3707 2.0782 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0536 1.0214 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5028 1.1053 1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8820 -0.3541 -0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8122 -1.1102 0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 0.5922 -0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6914 -0.2491 1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0807 -2.4521 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1467 -1.6864 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6505 -1.8695 0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0451 -3.0146 -0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9263 -1.1293 -2.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4533 -1.6779 -1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 0.6617 -2.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0717 0.9335 -1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7219 2.1219 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3932 0.8101 0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 0.9441 -0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0192 1.3717 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9153 -1.4691 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3212 -1.1193 1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4315 -0.1710 2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -1.9126 1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1011 -1.0195 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1691 0.6493 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 0.0861 1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -1.6282 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1076 0.1005 -1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7279 -1.1402 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0001 2.6729 1.2147 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 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 16 49 1 0 16 50 1 0 19 51 1 0 M END