HMDB0284510 RDKit 3D PE(24:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 153152 0 0 0 0 0 0 0 0999 V2000 -19.4208 -0.4533 0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4785 -0.1688 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4913 1.2944 -1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5793 1.9837 -1.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3992 1.4046 -2.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1603 2.0103 -1.7769 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.0008 1.5291 -2.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.2543 1.5716 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2213 0.9264 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3015 0.5065 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3950 -0.1239 2.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0933 -0.5578 1.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6520 -0.4024 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6398 0.3183 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8203 1.0762 0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8045 1.7888 0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9834 2.5574 1.4116 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8035 3.0374 0.9037 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8556 1.7508 2.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0084 0.7382 2.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1489 0.3255 1.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7227 0.4383 2.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6999 0.0742 0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3538 0.2177 1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 0.5768 2.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1766 -0.0093 0.9116 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8889 0.1432 1.5717 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1389 1.2779 1.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0773 1.5170 1.5624 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 0.9419 1.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4645 -0.0806 0.8481 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4624 1.4242 2.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 2.1720 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1047 1.3935 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7506 0.1784 1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4593 -0.6935 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5216 -1.1488 -1.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1343 -2.0383 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2851 -1.5022 -2.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0283 -0.2589 -3.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2476 0.1762 -4.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4513 0.4525 -3.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1288 1.5438 -2.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1225 1.9005 -1.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4519 2.4042 -1.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4229 1.5912 -2.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7456 0.2523 -1.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3160 0.3914 -0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5940 -1.0084 -0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1523 -1.0322 1.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4448 -0.3092 1.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5706 -0.8432 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7995 -0.0044 0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0124 -0.4210 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2402 -1.1813 1.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -1.8421 0.5666 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7434 -3.3332 0.6975 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2878 -3.4381 2.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 -3.5663 -0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3338 -4.6139 0.5179 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 -4.2399 0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -5.3477 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4071 -6.3904 1.4744 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.5472 0.4711 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4127 -0.8580 0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.1830 -1.1769 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.4406 -0.6167 -1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6311 -0.6846 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.3138 1.8867 -0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6802 3.0784 -1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3931 1.6638 -3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3080 0.3285 -2.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2351 3.0955 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1827 0.9040 -3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1253 1.7421 0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3929 0.8156 -0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2772 0.7607 2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6779 -0.3591 3.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3323 -0.1589 2.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0117 -1.6964 2.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1937 -0.9936 -0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4304 0.3316 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0006 1.0851 2.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5919 1.8072 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6047 3.4639 1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7475 3.0835 -0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4561 1.9855 3.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9554 0.1795 3.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3672 0.8062 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3867 -0.7741 1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5069 1.4036 2.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6101 -0.3313 2.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8681 -0.9901 0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7753 0.7414 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1884 0.4729 2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1111 1.2476 -0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 2.2210 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9139 0.5583 2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1268 2.1099 3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3045 2.4328 2.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0686 3.1505 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8503 2.0396 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2798 1.1302 -0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 0.5516 1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.4647 1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7499 -1.6219 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3951 -0.2600 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6944 -1.7092 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0383 -0.3007 -1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3201 -2.2721 -2.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4590 -3.0151 -1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1659 -1.3447 -2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5988 -2.3022 -3.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2694 -0.5271 -4.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 0.5909 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5496 -0.5876 -5.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0141 1.0938 -4.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7762 -0.4809 -3.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2531 0.7868 -4.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8217 2.4525 -3.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1873 1.2430 -1.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6226 2.7197 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1883 1.0164 -0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3162 3.3638 -2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9939 2.7954 -0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2366 1.4386 -3.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4278 2.1558 -2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5550 -0.1955 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9088 -0.4504 -1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2188 1.0193 -0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5584 0.8832 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2860 -1.5488 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6451 -1.5703 -0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4369 -0.6221 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3129 -2.0962 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3496 0.7919 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7596 -0.4780 2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3860 -0.7828 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7425 -1.9069 0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5950 1.0600 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9570 -0.0719 2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4650 0.4022 -0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8508 -1.2800 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7877 -0.7411 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 -1.1067 2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 -1.7779 2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 -3.6564 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9214 -3.2984 0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 -3.9499 1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 -5.7231 -0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6528 -4.9137 0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -7.1142 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2796 -6.8210 1.8503 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 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 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 1 0 30 31 2 0 30 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 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 27 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 1 7 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 1 18 86 1 0 19 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 23 93 1 0 23 94 1 0 27 95 1 1 28 96 1 0 28 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 59147 1 0 61148 1 0 61149 1 0 62150 1 0 62151 1 0 63152 1 0 63153 1 0 M END