HMDB0034462 RDKit 3D Heptyl 4-hydroxybenzoate 37 37 0 0 0 0 0 0 0 0999 V2000 -4.2773 1.9632 -0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5594 0.6898 -1.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2963 -0.1338 -1.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7771 -0.4732 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5107 -1.2991 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0841 -1.5780 1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1755 -2.3996 1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2726 -1.7968 0.6921 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8121 -0.5763 1.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2561 0.0193 2.0129 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 0.0188 0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 -0.5630 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 0.0052 -1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1487 1.2408 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2501 1.8148 -1.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5136 1.8638 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4302 1.2418 0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4376 2.5033 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 1.7713 0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2116 2.5736 -0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3324 0.1268 -0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0191 0.9384 -2.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5438 -1.0864 -2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 0.3853 -2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 0.5036 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5303 -0.9438 0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -0.7226 -0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -2.2723 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 -2.1754 1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 -0.6096 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0313 -3.3536 0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 -2.6862 2.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2884 -1.5231 -1.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2388 -0.4509 -2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0911 2.4248 -2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 2.8170 0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 1.7419 1.6562 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 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 12 33 1 0 13 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 M END