HMDB0110582 RDKit 3D TG(19:0/18:0/a-13:0)[rac] 161160 0 0 0 0 0 0 0 0999 V2000 0.0158 0.7849 -8.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 0.1475 -10.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -1.2549 -10.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 -2.1218 -9.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 -3.5249 -9.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4518 -4.4351 -8.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 -3.9107 -6.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9323 -4.7753 -5.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4026 -4.9795 -5.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9758 -5.8724 -4.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4597 -6.0019 -4.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1179 -6.9301 -3.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0361 -6.5668 -2.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7105 -5.2674 -2.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5402 -5.1426 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1444 -4.0558 0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8526 -2.6444 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4465 -2.1685 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8719 -2.4452 1.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3774 -3.1653 2.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6406 -1.8510 1.7271 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 -2.0371 2.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 -1.2091 2.9666 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3044 -1.8773 3.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6184 -3.1301 3.2882 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5045 -4.0617 3.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 -3.7573 4.8872 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8247 -5.3268 3.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 -6.0238 2.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0366 -5.2140 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7725 -4.6755 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2017 -3.7916 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 -3.1148 -1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7474 -2.2286 -2.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4285 -1.4466 -3.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6148 -0.5749 -3.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 0.2357 -5.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9099 -1.2785 -3.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 -0.2174 -4.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9712 0.1352 3.2034 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7237 1.1563 2.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 0.8468 1.2029 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0483 2.5649 2.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 3.3956 1.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 4.8634 1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 5.4239 2.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2728 5.3423 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0985 5.8859 3.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 5.8335 3.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4463 6.3415 4.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3168 5.5533 5.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2044 6.0487 6.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 7.4430 7.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8183 7.9302 8.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7352 7.0991 9.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3323 7.0438 10.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3934 6.1748 11.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0337 6.0588 12.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1841 5.1778 13.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6805 0.1871 -8.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4244 1.8132 -8.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0057 0.9212 -8.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1906 0.0820 -10.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4383 0.7950 -10.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5136 -1.1530 -9.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4181 -1.6466 -11.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3616 -2.1512 -9.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2004 -1.6421 -8.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -3.9630 -10.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3391 -3.4852 -8.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5343 -4.4801 -8.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0225 -5.4328 -8.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8317 -2.9347 -6.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 -3.7316 -6.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 -5.7697 -5.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6804 -4.3457 -4.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9073 -4.0335 -5.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 -5.5553 -6.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 -5.5299 -3.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 -6.8748 -4.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 -6.2657 -5.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8857 -4.9762 -4.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1623 -7.0936 -4.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5709 -7.9221 -4.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4224 -7.3524 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -6.4446 -2.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 -4.4664 -2.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7815 -5.3703 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4183 -5.1126 -0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -6.1590 -0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0855 -4.2356 1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2906 -4.1756 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2553 -2.2172 -1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4499 -2.0596 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7352 -2.5578 -0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4813 -1.0434 0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7234 -3.0627 3.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5322 -1.6553 3.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1728 -1.2267 1.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2062 -1.2250 3.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1044 -2.0396 4.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2323 -6.0166 3.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6338 -5.1982 2.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0268 -6.3569 3.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0906 -6.9491 1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7736 -5.9362 0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6605 -4.4404 1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6799 -4.1579 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -5.5276 -0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1157 -4.3756 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5502 -3.0302 0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -3.8945 -2.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2859 -2.5565 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6411 -2.8811 -2.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0005 -1.5140 -1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -2.0206 -4.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -0.7290 -3.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7331 0.1434 -2.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 0.3825 -5.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9225 1.1981 -4.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8539 -0.2686 -5.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 -1.9725 -4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2693 -1.7712 -3.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9717 -0.5732 -4.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 0.0249 -5.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7641 0.7349 -3.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3763 2.9089 3.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 2.7385 2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 3.2072 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4588 3.0815 0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0826 4.9788 1.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7361 5.4107 0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4439 4.9088 3.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5138 6.5042 2.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4635 6.0491 1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6077 4.3636 2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 6.9549 3.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 5.2820 4.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9016 4.8465 2.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7405 6.5354 2.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2674 7.4182 4.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4954 6.2891 3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2698 5.4237 5.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6705 4.5025 5.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2653 5.9198 6.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1634 5.3540 7.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 7.4692 7.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0137 8.1175 6.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4616 8.9640 8.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8622 8.0652 7.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4657 7.4551 10.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0296 6.0527 9.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9455 8.0367 10.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7082 6.5120 9.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0617 6.6460 12.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6994 5.1664 11.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2778 5.6438 11.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6493 7.0327 12.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9379 4.3914 13.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4734 5.7818 14.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2188 4.6556 13.4572 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 22 97 1 0 22 98 1 0 23 99 1 6 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 39126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 59161 1 0 M END