HMDB0261456 RDKit 3D PE(18:2(9Z,12Z)/18:1(12Z)-2OH(9,10)) 129128 0 0 0 0 0 0 0 0999 V2000 -14.1477 6.2089 2.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5624 4.9146 1.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5566 4.6139 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8604 3.3366 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7532 3.1899 -1.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9253 1.9906 -1.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0593 1.0236 -1.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7947 1.0017 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8402 -0.2376 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9532 -1.1809 -0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8459 -1.1626 -1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5293 -1.2771 -0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2956 -0.1605 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9291 -0.5070 0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5834 0.5281 1.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3768 0.3651 2.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0795 0.2591 2.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8029 -0.9263 1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 -1.9558 1.1531 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 -0.9476 0.4709 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3678 -2.0682 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0401 -2.0868 -1.0132 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0800 -3.2559 -1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 -4.4916 -1.3178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2306 -5.7067 -2.4876 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6594 -6.1640 -2.7056 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -5.1225 -3.9737 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7637 -6.9686 -2.0182 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -7.0110 -0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8151 -8.2077 -0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 -8.3250 1.0642 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 -2.1515 -0.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1296 -1.3368 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2163 -0.3362 -0.7446 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1793 -1.6937 1.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 -2.5851 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2641 -3.0991 1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -2.1968 2.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0626 -1.2970 1.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9419 -2.0928 0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9076 -1.3484 -0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0209 -0.6165 0.0694 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8277 -1.5380 0.8092 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8666 0.5705 0.8988 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2259 1.0507 1.1091 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1051 1.7406 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7588 2.2228 -0.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2327 3.4734 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1263 4.4349 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3943 4.9541 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2698 5.9012 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8263 5.7422 -1.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8920 5.8909 -2.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0685 6.1214 2.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8010 6.5230 3.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1552 6.9889 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5421 5.1123 1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6505 4.1064 2.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5900 5.4751 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5356 4.5623 1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9124 2.5087 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8368 3.4531 -0.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9430 4.0954 -1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7757 3.3979 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8756 1.9442 -2.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2686 0.1450 -2.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9105 1.0805 -1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7420 1.8818 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6542 -0.3152 0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0411 -2.0838 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9743 -2.1024 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7854 -0.3565 -2.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5571 -2.2261 -0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6903 -1.3119 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0346 -0.0848 1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1306 0.8205 -0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2378 -0.4511 0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0710 -1.5048 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4919 1.5607 1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4527 0.7287 2.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3015 1.2473 3.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 -0.4998 3.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 1.1628 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 0.3901 2.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -2.1041 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5404 -2.9647 0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -1.1840 -1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8391 -3.2033 -2.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9777 -3.1978 -2.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1357 -5.5304 -4.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0967 -7.1738 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3601 -6.0860 -0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3791 -9.1237 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7531 -7.9775 -0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2703 -9.3021 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 -7.6266 1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 -2.1882 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6198 -0.7169 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6256 -2.1331 -0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6427 -3.4835 0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8219 -3.9073 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7153 -3.7114 2.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6173 -1.5556 2.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 -2.8191 2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -0.7922 1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5124 -0.4983 0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3854 -2.9788 0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2164 -2.5960 -0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2942 -0.6567 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3649 -2.0439 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7313 -0.3637 -0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4762 -2.4487 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5320 0.4353 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8190 0.2851 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7213 2.4285 0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1572 1.2046 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8989 1.5690 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6899 3.7025 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5081 4.1214 0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5082 5.3162 -0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2076 5.3739 1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0432 4.0269 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1714 6.1313 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7669 6.9707 -0.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7261 6.4427 -1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2869 4.6994 -1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0451 5.0777 -3.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1888 6.8491 -3.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8331 6.0053 -2.3093 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 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 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 42 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 6 23 88 1 0 23 89 1 0 27 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 6 43112 1 0 44113 1 1 45114 1 0 46115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 M END