HMDB0005051 RDKit 3D Tsuzuic acid 42 41 0 0 0 0 0 0 0 0999 V2000 -5.5875 0.1439 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 -1.1952 0.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4048 -0.8820 0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4679 -0.1701 -0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1294 0.2384 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3705 1.1653 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0676 1.5233 -1.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 0.3429 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2046 -0.3817 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 0.5249 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 0.3263 1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.8509 0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1896 -0.3348 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9598 0.5318 0.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6822 1.7551 1.0445 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0631 0.0161 1.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4462 0.0244 1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0323 0.4276 -0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8594 0.8983 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9598 -1.7342 1.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2749 -1.7306 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9271 -0.2631 1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 -1.8769 0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0247 -0.8215 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0642 0.7686 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 0.7147 -2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -0.7261 -1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2232 0.8088 0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 2.1248 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4688 2.3369 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2892 1.9706 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 -0.4135 -2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 0.6392 -2.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6995 -1.3000 -0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2061 -0.5816 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 1.4394 1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 1.0889 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3914 -1.3721 1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4727 -1.5935 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7602 0.2981 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7552 -1.1804 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9526 -0.6895 2.2582 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 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 16 42 1 0 M END