HMDB0002345 RDKit 3D Heneicosanoic acid 65 64 0 0 0 0 0 0 0 0999 V2000 -9.2266 1.0973 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4272 2.3743 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9394 2.0172 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6564 1.3847 1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2037 1.0401 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8188 0.0716 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3201 -0.2925 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0687 -1.2545 -0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 -1.7109 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2769 -2.3823 0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 -3.0655 0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2483 -2.3141 0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 -1.8486 -0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9758 -1.1342 -0.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 0.0412 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1923 0.8393 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 -0.0704 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6088 0.6312 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 1.1511 -0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3965 1.8378 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4958 0.9776 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4041 -0.2551 0.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7635 1.5456 0.2608 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5699 0.9451 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5726 0.2358 -0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0917 1.0793 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5613 2.7049 -1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6845 3.1410 0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3817 2.9618 -0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7696 1.2943 -1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9687 2.1087 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2515 0.4633 1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6161 1.9817 1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9225 0.6454 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3568 -0.8936 0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9135 0.4973 -0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7016 0.6035 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2252 -0.8219 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3746 -0.8059 -1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6582 -2.1767 -0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 -0.7062 -0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4937 -2.2883 -1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1194 -3.1135 0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4373 -1.5955 1.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1055 -3.9845 -0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -3.5497 1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0829 -2.9513 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2305 -1.4354 1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8383 -2.7504 -1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 -1.2065 -1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6673 -1.9010 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3406 -0.8968 -1.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0245 0.6860 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -0.3477 1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 1.6959 0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 1.2022 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9934 -0.4142 1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3751 -0.9206 -0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3127 -0.1300 1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5768 1.4333 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 1.7992 -1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2397 0.2936 -1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7345 2.2997 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3212 2.7208 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1685 1.4161 1.1841 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 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 18 59 1 0 18 60 1 0 19 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 23 65 1 0 M END