HMDB0109890 RDKit 3D TG(19:0/19:0/a-13:0)[rac] 164163 0 0 0 0 0 0 0 0999 V2000 2.4747 -5.5724 -2.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4699 -4.5008 -2.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8381 -4.7341 -1.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8317 -4.7520 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1873 -4.9784 1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1718 -3.9249 1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 -4.2947 2.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -3.3654 3.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -3.1638 2.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6339 -2.2704 3.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8904 -2.0393 2.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8613 -1.1784 3.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1178 -0.9078 2.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2110 -0.2183 1.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7433 1.1631 1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2715 1.3444 1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8722 2.8051 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 3.4858 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7941 2.9736 -1.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3981 2.0509 -1.9785 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6362 3.4670 -2.0199 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 2.9406 -3.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9683 3.6046 -3.6931 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8868 3.3590 -2.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 3.7681 -1.3527 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5134 5.0669 -0.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3767 5.9359 -1.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9136 5.5312 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 5.3984 1.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4448 3.9461 1.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6342 3.7649 2.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9657 2.2794 2.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 2.1466 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4185 0.7063 4.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4815 0.7079 5.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -0.6899 5.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5226 -1.3392 4.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -0.6097 6.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 0.2089 6.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4978 3.1670 -4.9548 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1941 3.9850 -6.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 5.2204 -5.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 3.4454 -7.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6867 2.8590 -7.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 1.6768 -6.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1465 0.5932 -6.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2494 -0.6465 -5.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 -0.3680 -4.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9719 -1.6282 -3.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6254 -1.5088 -2.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2103 -0.5772 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1609 -0.6319 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.3505 -1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6001 -0.4382 -0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7047 -0.1232 -1.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0556 -0.1839 -1.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 0.1369 -2.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4861 0.0855 -1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6501 1.0707 -0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 0.9821 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -5.4495 -2.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0393 -6.5735 -2.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8094 -5.3720 -3.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9569 -3.5112 -2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 -4.4989 -3.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0887 -3.9534 -1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 -5.7051 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6035 -5.5484 -0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3807 -3.7881 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9858 -5.0183 2.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -5.9646 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -3.9939 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 -2.9475 1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3951 -4.5014 3.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9086 -5.2887 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7415 -3.7852 4.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8965 -2.3766 3.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1243 -4.1036 2.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 -2.6564 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 -1.2475 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8809 -2.7054 4.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3856 -3.0216 2.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6901 -1.5902 1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1610 -1.8863 4.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4178 -0.3404 3.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7056 -1.9037 2.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8519 -0.3574 3.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3057 -0.2429 0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7127 -0.9132 0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0793 1.5868 0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2449 1.8683 1.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7279 0.8175 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 0.9706 2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3052 3.3366 1.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 2.8652 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4208 3.4882 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0414 4.5726 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0512 3.1374 -3.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1323 1.8443 -3.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0907 4.6892 -3.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6669 2.2837 -2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0224 3.9242 -2.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 6.6099 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 4.9964 0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 6.0054 1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1112 5.8282 2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3593 3.4504 2.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 3.4237 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5312 4.2882 2.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3036 4.1187 3.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0348 1.7596 3.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 1.8274 1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 2.5311 4.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 2.6789 3.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5639 0.0869 4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8425 0.2271 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3743 1.2550 4.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0612 1.2115 6.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0787 -1.2515 5.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 -2.0952 3.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -0.6026 3.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4367 -1.9543 4.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5856 -0.1583 7.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 -1.6215 6.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0372 1.2801 6.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0975 -0.1256 6.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 0.1636 5.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 4.2710 -8.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 2.7070 -7.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 3.6307 -6.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0799 2.5664 -8.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4931 2.0729 -5.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7693 1.2776 -6.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2107 0.3873 -7.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 0.9559 -6.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6876 -1.4982 -6.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8106 -0.9539 -5.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 -0.0558 -4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2911 0.3692 -4.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -2.2670 -3.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7038 -2.2778 -4.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7764 -1.4411 -2.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5764 -2.5575 -1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 0.4807 -1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8777 -0.8521 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2955 0.0460 0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -1.6514 -0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2575 0.6458 -2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4024 -1.0960 -2.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5852 0.2684 -0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7228 -1.4766 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7073 -0.8800 -2.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5255 0.8543 -2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0805 0.4934 -0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -1.1995 -0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9454 1.1397 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1038 -0.6077 -3.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2880 0.3233 -2.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7265 -0.9309 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9397 0.8439 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 2.1042 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7388 1.5280 -0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0335 1.3873 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3933 -0.0624 0.1691 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 23 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 22 98 1 0 22 99 1 0 23100 1 6 24101 1 0 24102 1 0 28103 1 0 28104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 37120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 39127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 52147 1 0 53148 1 0 53149 1 0 54150 1 0 54151 1 0 55152 1 0 55153 1 0 56154 1 0 56155 1 0 57156 1 0 57157 1 0 58158 1 0 58159 1 0 59160 1 0 59161 1 0 60162 1 0 60163 1 0 60164 1 0 M END