HMDB0261419 RDKit 3D PE(20:4(5Z,8Z,11Z,13E)-OH(15S)/18:2(9Z,12Z)) 128127 0 0 0 0 0 0 0 0999 V2000 13.9959 1.4473 -2.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9261 0.8002 -1.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8892 -0.6296 -2.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0358 -1.5650 -1.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5693 -1.4000 -1.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9941 -0.2255 -0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2271 -0.3629 0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8752 -1.6515 0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4092 -1.8000 0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6713 -1.9295 1.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1832 -1.9446 3.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8653 -0.8862 4.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5802 -0.4768 4.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4937 0.1681 3.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -0.4188 2.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1364 -1.7601 3.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -2.3103 1.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4349 -1.4336 1.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -1.4653 1.6718 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -0.5441 0.2298 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 0.3205 -0.4029 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6766 -0.0416 -1.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -1.3355 -2.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1635 -1.6606 -1.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8988 -0.7218 -1.2362 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7582 -2.9967 -1.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1941 -3.0494 -2.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4605 -2.5331 -3.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0305 -1.1807 -3.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6757 -0.1254 -4.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1004 0.0181 -4.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0226 -1.0728 -4.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0340 -1.2127 -3.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3334 -0.1592 -2.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 -0.7425 -1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3301 -0.7210 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5830 -0.0909 -0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6199 -0.0528 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8648 0.5888 -0.3278 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.9357 1.8869 0.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0917 -0.1992 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6749 -0.9523 0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0149 -0.2831 1.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8581 0.1496 2.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3301 0.8413 4.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1442 1.7708 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3922 2.0610 -0.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 3.7041 -0.5122 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1803 3.7712 0.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 4.5042 -1.9844 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 4.4117 0.6193 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4017 4.9802 1.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4502 5.5785 2.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2304 6.1511 3.7761 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9555 1.1723 -2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8265 2.5390 -2.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8116 1.0130 -3.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1874 0.9606 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9644 1.2908 -2.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6367 -0.7036 -3.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9583 -1.0186 -2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3644 -1.6110 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2632 -2.6108 -2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2427 -1.2598 -2.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0329 -2.3622 -1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1215 0.7744 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8196 0.5580 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2505 -1.5081 1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3487 -2.5198 0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9389 -1.7980 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5913 -2.1046 1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2669 -2.2866 3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6948 -2.9115 3.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4204 0.0978 3.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5869 -1.0833 5.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 -1.3336 5.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8182 0.2392 5.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8307 1.2169 3.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 0.4793 4.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 0.2628 2.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2726 -0.3533 1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8697 -2.4619 3.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -1.5870 3.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 -3.2795 2.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 -2.4468 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 0.2127 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 0.7291 -2.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7278 -0.0958 -2.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5418 -3.5590 -0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 -3.5013 -2.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5085 -4.1252 -2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8588 -2.5620 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4445 -2.8545 -3.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7605 -3.2036 -4.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8996 -1.0094 -3.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0337 0.7973 -4.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4166 0.9606 -3.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1487 0.3654 -5.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9128 -1.8929 -5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6487 -2.0968 -3.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3356 0.2271 -2.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5773 0.6592 -2.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4039 -1.2431 -0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1999 -1.1880 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7039 0.3644 -1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4716 -0.5254 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7219 0.8527 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5032 2.4811 -0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8870 0.5162 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0334 -0.9538 -1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0484 -1.8705 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6529 -1.4885 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7595 -0.8770 2.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5794 0.6738 1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1681 0.8176 2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3015 -0.7604 3.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4234 1.3057 4.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7452 0.0501 4.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0992 1.5855 3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 2.0950 0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 2.4204 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9244 5.1829 -1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1185 5.7764 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9913 4.1989 2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 4.7532 3.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7446 6.2865 2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2495 6.0319 3.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8665 5.8810 4.6976 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 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 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 1 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 6 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 50122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 M END