HMDB0031059 RDKit 3D 2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid 55 55 0 0 0 0 0 0 0 0999 V2000 7.8199 -2.3413 1.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8851 -2.9411 0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6347 -2.2302 0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6569 -0.8654 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5678 0.2490 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5888 1.6040 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 2.4134 0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3247 2.0346 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1961 2.9747 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 2.4570 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 1.1684 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7219 0.5549 -0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 1.4353 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 0.7148 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -0.6005 -0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 -1.2337 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4146 -2.1922 1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4811 -2.7830 1.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7613 -2.4660 1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9580 -1.5050 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2722 -1.2418 0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8924 -0.8876 -0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1266 0.0838 -1.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 0.6581 -1.9831 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3792 0.4755 -1.8397 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6668 -1.3273 1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7607 -2.8094 1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0393 -3.9487 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5735 -2.1950 -0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 -2.7746 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7457 -0.7400 1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4762 0.1205 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7164 1.5679 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5127 2.1279 0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4105 3.4342 0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 1.0309 -0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1065 3.1784 -1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4129 3.9227 -0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1361 3.2367 -0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0723 2.3041 1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3775 0.4464 -0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 1.3106 -1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6196 0.1500 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -0.3488 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1546 1.5757 -1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 2.4381 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9937 1.3769 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8994 0.4174 1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5299 -1.3208 -0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3734 -0.5397 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4218 -2.4703 1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3183 -3.5308 2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6213 -2.9377 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6729 -0.6436 -0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6313 1.4124 -2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 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 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 22 16 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 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 15 49 1 0 15 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 21 54 1 0 25 55 1 0 M END