HMDB0045141 RDKit 3D TG(18:0/20:2n6/20:2n6) 177176 0 0 0 0 0 0 0 0999 V2000 2.0346 -0.4721 7.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 0.0447 7.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6193 1.3078 8.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8485 2.4948 8.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9855 3.1349 6.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 2.3991 5.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 2.7018 4.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8513 3.8834 4.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 4.9724 3.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5595 5.1669 2.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 4.3256 2.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 5.0982 2.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0398 4.4043 1.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6479 3.2165 2.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9744 1.9852 2.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 1.1336 1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8416 0.5607 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 1.5069 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 2.2328 -1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0119 1.2696 -1.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 0.0890 -2.0739 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 1.6591 -2.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7293 0.8548 -2.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4939 1.7812 -2.9727 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8010 2.2845 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2051 1.2338 -0.7457 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4049 1.4372 0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2172 2.5658 1.1159 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8494 0.2925 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4213 0.5613 2.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7732 -0.4476 3.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1323 -0.6811 4.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2354 -0.9682 3.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4424 -1.3157 4.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7080 -1.6424 3.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5070 -0.6664 2.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9535 0.0724 1.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1250 0.9452 1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6527 1.7488 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5232 2.6816 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 3.5026 -0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9662 4.4154 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2953 5.3861 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0934 6.2769 0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9313 5.4232 1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 1.1386 -3.5455 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0218 1.4631 -4.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3169 2.3832 -5.3885 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1388 0.8599 -5.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 -0.5404 -6.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 -1.4710 -4.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2264 -2.8786 -5.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 -2.8920 -6.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5405 -4.2786 -6.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4501 -5.2523 -5.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0528 -6.6143 -5.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2971 -6.9196 -6.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -6.2957 -7.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 -5.5386 -7.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -5.2035 -6.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 -3.7406 -6.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4062 -3.1812 -5.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9345 -3.9514 -4.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8855 -3.7020 -2.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 -4.5360 -1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0178 -4.1957 -1.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -5.0958 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 0.1548 7.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0608 -1.4842 7.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7156 -0.5301 8.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0114 -0.7798 8.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 -0.0495 6.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 1.0535 9.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7215 1.5274 8.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 3.3051 8.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7675 2.3016 8.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 4.1397 6.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0877 3.4664 6.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 1.4859 5.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5306 1.9854 3.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2423 3.4508 4.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8445 4.2512 5.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1114 5.8021 4.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 6.1353 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 4.1730 1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7403 3.3354 2.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2441 5.3804 3.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6164 6.0482 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9046 5.2070 1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 4.3270 0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1085 3.5722 3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5859 2.9814 1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 1.2685 2.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4662 2.0428 3.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8506 0.2294 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2149 1.5717 1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3133 -0.3437 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8418 0.1279 0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5414 0.8485 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 2.1747 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 2.8719 -0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3334 2.8954 -2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4935 0.0366 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0176 0.4704 -3.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0944 2.6152 -3.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 3.0240 -1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 2.7487 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8977 0.1000 1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2804 -0.6243 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9535 1.5211 3.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3276 0.8070 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1585 -0.1872 4.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2698 -1.4601 3.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4596 0.1865 5.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1087 -1.5471 5.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9725 -1.7605 2.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4222 0.0115 2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1206 -2.2366 4.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -0.5024 4.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5464 -2.5952 2.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3883 -2.0803 4.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9090 0.1428 3.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5051 -1.1543 2.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6284 -0.5452 0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1500 0.7965 1.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5492 1.5399 1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8845 0.2319 0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 2.3931 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3818 1.0211 -0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6341 2.0561 0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8213 3.3571 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0031 4.0977 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8574 2.8089 -1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0581 3.8292 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 5.0134 -1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1039 6.0870 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5914 4.9080 1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 6.8583 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3749 6.9213 1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 6.0894 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2248 4.6873 2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5224 4.8866 0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0813 0.8103 -4.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3531 1.4674 -6.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0117 -0.4432 -6.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 -0.9145 -6.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4786 -1.4433 -4.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7285 -1.0723 -4.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0757 -3.2945 -5.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 -3.4669 -4.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 -2.5516 -5.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9846 -2.1648 -6.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 -4.2279 -7.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -4.5605 -7.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1877 -4.8140 -4.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4738 -5.2956 -4.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1736 -7.2384 -4.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 -7.0784 -6.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 -8.0752 -6.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -6.8200 -5.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1623 -6.4641 -8.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0547 -5.1047 -8.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 -5.4631 -6.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 -5.7899 -5.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 -3.1230 -7.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4603 -2.0827 -5.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6999 -4.9898 -4.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9384 -3.4756 -3.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -4.0070 -3.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9268 -2.6354 -2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4307 -5.6208 -1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1493 -4.3987 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3416 -4.5422 -2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 -3.1544 -1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2369 -6.0634 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5614 -5.3578 0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8854 -4.6244 0.5248 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 23103 1 0 23104 1 0 24105 1 6 25106 1 0 25107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 45142 1 0 49143 1 0 49144 1 0 50145 1 0 50146 1 0 51147 1 0 51148 1 0 52149 1 0 52150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 67177 1 0 M END