HMDB0038070 RDKit 3D xi-16-Methyloctadecanoic acid 59 58 0 0 0 0 0 0 0 0999 V2000 -6.5103 1.9433 1.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0876 1.8537 -0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8179 0.4240 -0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3998 0.3669 -2.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9916 -0.3402 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6269 0.1032 0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7041 0.1684 -0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3224 0.6192 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 -0.3204 0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7084 0.1784 1.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -0.7026 2.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -2.0803 1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4456 -2.1484 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 -1.6188 0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6403 -1.7270 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0174 -1.2054 -0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2603 0.1974 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9442 1.2834 -1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5955 1.5662 -1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 1.0982 -1.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4478 2.5072 -2.5689 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1915 2.8334 1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6698 1.9684 1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1599 1.0584 1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2875 2.5521 -0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9852 2.1759 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8486 -0.0645 -0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3238 0.1341 -2.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0633 1.3440 -2.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7211 -0.4784 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5515 -0.5148 1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9103 -1.3897 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 -0.6978 1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5598 1.0165 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 -0.8366 -1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0395 0.9046 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 0.5912 -1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.6530 0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -1.3106 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2387 -0.3583 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 1.2098 1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 0.2662 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2512 2.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7007 -0.8151 3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -2.5218 1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 -2.7542 2.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 -1.6349 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5298 -3.2221 0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8844 -0.5938 0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3695 -2.3084 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8011 -2.8551 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1245 -1.3684 -1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6756 -1.4571 -1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 -1.8913 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7553 0.4800 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3636 0.2633 0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 2.2355 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6288 1.1189 -1.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9989 3.3522 -2.5898 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 3 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 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 21 59 1 0 M END