HMDB0261085 RDKit 3D PE(20:3(6,8,11)-OH(5)/16:1(9Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -12.1905 3.7451 1.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2644 2.7732 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1888 1.4943 0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3424 1.8722 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3691 0.8013 -1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2075 -0.1033 -1.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8389 -0.9260 -0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6517 -0.9311 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4807 -0.1363 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0021 0.7327 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8155 1.5599 0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6900 0.6837 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4327 1.4363 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8568 2.2403 0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5079 1.3284 1.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5204 0.3031 1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3456 -0.6520 2.3755 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7452 0.2345 0.4093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8241 -0.8196 0.1814 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4041 -0.3821 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 -1.4782 -0.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -2.6086 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0349 -2.7445 1.6401 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -3.7210 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6356 -3.2466 -0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5175 -2.2234 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 -2.8417 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9007 -3.9366 0.7961 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0047 -1.8671 1.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7407 -0.9727 1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5893 -0.0303 2.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3254 0.8638 1.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2012 1.8354 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5933 1.5337 1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5465 1.1376 2.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9254 0.8165 2.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3497 1.0157 0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3804 2.4132 0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3393 3.2816 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7353 2.7512 0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3362 2.6723 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4269 3.9892 -1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0517 3.7303 -2.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 -1.5585 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5114 -2.0597 -0.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -2.9104 -2.1804 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.5481 -2.7288 -2.2689 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3102 -2.2513 -3.5545 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7072 -4.5493 -2.0664 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1013 -5.2609 -3.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7243 -6.7236 -2.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2899 -6.8066 -2.6884 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4728 4.2823 0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2125 3.2803 1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1746 4.5637 2.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2526 3.2243 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1684 2.4903 2.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2319 1.0374 1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9933 0.8217 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1877 2.6057 -0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4364 2.5232 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2827 0.1496 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5632 1.3077 -2.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4152 -0.8093 -2.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3652 0.5356 -2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6261 -1.5828 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5300 -1.6108 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6430 -0.8787 -0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5773 0.4049 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7986 1.4007 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7488 0.0785 1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1752 2.2347 -0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5422 2.2402 1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0268 0.1873 -0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4907 -0.1348 0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6847 0.7184 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6565 2.1124 -1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4905 3.0766 1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8975 2.6656 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1906 1.9559 2.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4458 0.8271 2.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8709 -1.5540 1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 0.3655 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 0.0460 1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8469 -4.3301 1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8793 -4.3937 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1862 -2.7416 -1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 -4.1105 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3195 -1.9838 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9603 -1.3149 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3798 -3.1985 1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1287 -3.8482 -0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.8616 2.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -0.9105 0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6137 -0.0709 3.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3022 0.9048 0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8822 2.8489 1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 1.6371 3.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7386 1.6415 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2889 1.0299 3.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1536 -0.2715 2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5971 1.3615 2.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3759 0.5946 0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6274 0.4540 0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4633 2.9642 0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8157 2.3497 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9868 3.2338 2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2565 4.3324 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3989 3.4049 1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7839 1.7514 1.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3813 2.2721 -0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7939 1.9582 -1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1166 4.6562 -0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4724 4.5013 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8440 4.4586 -2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4156 2.6855 -2.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2890 3.8565 -3.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5219 -2.3528 -1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2638 -0.7959 -1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3535 -2.4473 -3.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2022 -5.1715 -3.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5893 -4.8887 -4.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -7.0384 -1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -7.3082 -3.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8976 -5.8368 -2.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -7.3625 -1.8419 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 2 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 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 19 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 19 82 1 1 20 83 1 0 20 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 28 92 1 0 29 93 1 0 30 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 48120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 M END