HMDB0031046 RDKit 3D 9E-Heptadecenoic acid 51 50 0 0 0 0 0 0 0 0999 V2000 -7.1686 -2.3904 -0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0909 -0.9337 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7711 -0.3316 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7212 1.1136 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6579 1.9839 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2261 1.7814 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6492 0.5702 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 0.4269 0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2603 0.4009 1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 0.2557 0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7549 -0.9675 1.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2097 -1.1164 0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0346 0.0416 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4825 -0.1754 0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6443 -0.3016 -0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1249 -0.4861 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9488 0.6393 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5115 1.6799 0.0619 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3361 0.5846 -0.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1903 -2.9100 -0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6289 -2.5266 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8593 -2.8950 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8968 -0.3658 -0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0923 -0.7414 -1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9886 -0.8629 -0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5931 -0.5740 0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7041 1.5600 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9211 1.2487 -1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9441 3.0859 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 1.9525 1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6796 2.6912 0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 1.7913 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1739 -0.3324 0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7923 0.6607 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 0.3433 -0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 0.4864 2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 1.1501 1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 0.2179 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 -1.8733 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 -0.9818 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 -1.1104 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 -2.0937 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9848 0.1674 2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 1.0051 0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7575 -1.1586 1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0456 0.6559 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 -1.2177 -0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 0.5587 -1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 -0.7104 -1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 -1.4003 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 1.4040 -0.9798 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 2 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 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 19 51 1 0 M END