HMDB0045285 RDKit 3D TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -1.1748 -5.2510 1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0497 -4.9126 2.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 -4.1771 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 -2.9752 1.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 -2.2216 2.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0311 -1.8585 3.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 -0.6160 4.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5769 0.5538 3.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5396 1.5339 2.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 1.9388 1.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6941 1.4437 0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 0.8982 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 1.4344 -1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5034 2.5742 -1.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5697 2.0859 -2.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3048 2.6552 -4.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 3.9115 -4.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1775 4.9297 -4.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 5.2765 -3.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6536 4.1810 -2.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 4.0024 -1.6581 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5159 3.3445 -3.5793 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0841 2.2899 -2.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0388 1.4320 -3.6507 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3363 0.2326 -2.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 0.4091 -1.5154 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6678 0.8847 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6512 1.4450 -1.1844 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5125 0.7379 0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 1.6007 1.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6292 3.0683 1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4014 3.8655 1.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0022 3.5677 3.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 4.3789 3.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2334 4.0854 4.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 4.3383 5.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3073 3.8840 7.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 4.1088 8.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 3.6517 9.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 2.1858 9.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0198 1.8523 10.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3506 0.3611 10.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2915 0.0700 11.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 -1.4145 11.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -1.8335 10.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4703 0.9487 -4.8144 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8739 1.0275 -6.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9765 1.6298 -6.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1348 0.4801 -7.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2983 -0.7488 -6.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 -1.9261 -6.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8903 -2.5907 -5.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9532 -2.4152 -4.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9836 -1.3505 -4.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 -1.5888 -4.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -2.9559 -4.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6096 -3.1697 -2.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 -3.4749 -2.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -3.6504 -4.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3231 -5.0029 -3.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 -5.2605 -3.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 -4.3275 -3.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5316 -2.9003 -3.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0557 -2.0604 -4.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8539 -2.4661 -5.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2448 -1.9875 -6.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8812 -2.4683 -7.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7088 -3.9397 -7.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5444 -4.5254 -8.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0973 -5.2978 1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 -6.2401 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -4.4659 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5158 -5.9368 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 -4.5424 2.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5288 -4.6729 0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.5639 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 -1.3030 2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2103 -2.7533 3.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.6756 4.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 -0.4558 4.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6948 0.4149 2.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 1.1532 4.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 1.9543 3.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3516 2.6673 1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 0.5917 1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 2.1990 0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2337 0.0832 -0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0783 1.0193 -2.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 3.1169 -1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1823 3.3249 -2.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0152 1.1337 -2.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 2.1496 -4.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 3.7183 -5.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7547 4.3011 -3.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8584 4.4964 -5.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2842 5.8146 -5.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7348 6.0733 -3.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2638 5.8194 -2.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6293 2.7509 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2718 1.7055 -2.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9707 1.9492 -3.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9782 -0.5018 -3.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3241 -0.3047 -2.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3342 -0.3016 1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4414 1.0766 1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1973 1.3641 2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 1.2532 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7770 3.2677 0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5396 3.3853 1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 3.6191 0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6477 4.9498 1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6889 2.5017 3.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 3.7416 3.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9632 5.4701 3.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9953 4.0827 2.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3115 4.7312 4.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8132 3.0419 4.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3501 5.3976 6.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 3.7702 5.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3257 4.3789 7.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 2.7881 6.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3303 5.1664 8.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0076 3.5040 8.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8284 3.8315 10.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2699 4.2157 9.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3968 1.9055 8.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8116 1.5569 9.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 2.0458 11.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9297 2.4477 10.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6137 -0.2064 10.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 0.0709 9.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2097 0.6781 11.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 0.3053 12.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4014 -1.5015 12.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7669 -2.0053 12.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 -2.2766 9.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6909 -0.9694 9.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1075 -2.5591 10.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7816 0.2776 -8.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 1.2584 -7.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3246 -0.5844 -6.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9808 -1.0260 -8.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 -2.2764 -7.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6264 -3.4841 -5.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4626 -3.4396 -4.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5629 -2.4060 -3.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2771 -0.2678 -4.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0118 -0.7288 -4.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6037 -2.9269 -5.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2489 -3.7867 -4.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 -3.0565 -2.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2748 -3.6070 -1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3538 -2.8221 -4.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -3.7737 -4.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6055 -5.8494 -3.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8578 -6.3716 -3.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4727 -4.6880 -4.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2072 -4.5877 -2.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9729 -2.3890 -2.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8805 -0.9539 -4.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1265 -3.5034 -5.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8139 -1.8469 -5.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2011 -0.8742 -6.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 -2.2281 -7.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5424 -1.9400 -8.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1798 -2.1351 -6.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6374 -4.1317 -7.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8978 -4.4326 -6.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5407 -3.8884 -9.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 -5.5231 -8.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5789 -4.6912 -8.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 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 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 6 25102 1 0 25103 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 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 45138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 68167 1 0 68168 1 0 69169 1 0 69170 1 0 69171 1 0 M END