HMDB0261388 RDKit 3D PE(18:1(9Z)/18:3(9,11,15)-OH(13)) 126125 0 0 0 0 0 0 0 0999 V2000 16.4323 2.3142 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5824 3.1525 0.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1103 2.9002 0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7395 2.0317 -0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3472 1.6646 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3396 2.3565 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2777 3.6702 0.2247 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4121 1.4502 0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 0.3266 0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1383 -0.6863 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9262 -1.7760 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 -2.8974 0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0578 -2.9737 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1441 -1.8376 -0.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7462 -0.4883 -0.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7662 0.5679 -1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4376 0.4141 -0.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0709 0.3469 0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5744 0.3232 0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 0.5870 -0.6422 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 0.1001 1.4381 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2051 0.2021 0.8935 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5881 1.1873 1.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8285 1.4776 1.0412 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 2.0632 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8498 2.3415 -0.8086 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2742 2.3010 -0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8318 0.9988 -1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8261 -0.0296 -0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6394 0.3421 0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1014 0.5046 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7539 -0.7768 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2514 -0.4679 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3992 0.6758 -1.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9422 1.8562 -0.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4083 2.0432 0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7889 2.4884 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9380 1.8807 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2200 0.4213 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6182 0.2195 -0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7038 0.6936 0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0208 0.8295 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5685 -0.3841 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 -1.2212 0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5283 -1.9610 0.0054 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -3.5982 -0.1758 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1227 -4.1815 1.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1961 -3.8800 -1.1094 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5819 -4.2790 -0.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6593 -5.6117 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -5.5733 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 -4.9750 -0.0563 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4886 2.7426 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4892 1.2545 0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1750 2.4962 -1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8792 3.1382 1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6936 4.2253 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3769 3.4794 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5426 1.4577 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3487 0.5141 -0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2481 1.6220 -1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4882 2.4437 -0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2033 4.2857 -0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0795 1.7034 1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4767 0.1082 -0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6648 -0.5399 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4012 -1.9756 -0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4655 -3.8685 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4662 -2.6082 1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 -3.0291 -1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4882 -3.9291 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -1.9871 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -1.9177 -2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6180 -0.4193 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8505 -0.2022 0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7795 0.6736 -2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1475 1.5961 -0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7828 1.1989 -1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9348 -0.5618 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4463 -0.5334 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3315 1.2902 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3018 0.4705 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8305 0.8095 2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 2.1433 1.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0226 2.7799 -0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 2.9491 -1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1472 0.6940 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8479 1.2103 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9954 -1.0214 -0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 -0.0523 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5425 -0.3829 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3293 1.3098 1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1457 1.3029 -0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6081 0.8588 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -1.6050 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2590 -1.0489 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7879 -0.3994 0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6291 -1.3852 -0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0946 0.6199 -2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0115 2.6425 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7401 2.9583 1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1030 1.2920 1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0140 2.4992 2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8640 3.6237 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0220 2.2507 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8670 2.3977 0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5235 -0.1521 -0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2729 -0.0484 1.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6955 -0.8341 -0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5503 0.8228 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4995 1.5857 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8843 -0.1508 1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7999 1.1535 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9952 1.7009 -0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9794 -0.0810 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4599 -0.8120 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8331 -1.1933 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 -1.3201 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1976 -1.6577 1.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5318 -3.0703 -1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9052 -6.2812 -1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7969 -5.9512 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -6.5706 0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6264 -4.9792 1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 -3.9047 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8116 -4.9649 0.7457 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 2 0 25 27 1 0 27 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 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 22 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 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 22 82 1 6 23 83 1 0 23 84 1 0 27 85 1 0 27 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 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