HMDB0284947 RDKit 3D PE(18:3(10,12,15)-OH(9)/DiMe(13,5)) 141141 0 0 0 0 0 0 0 0999 V2000 6.1455 0.1747 2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5418 -1.0783 2.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7437 -1.1653 0.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8355 -0.2574 0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0523 -0.3883 -0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6023 -0.5147 -0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -1.5772 -0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4919 -1.7286 -0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1355 -2.7770 -1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5767 -3.1216 -0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 -4.4957 -0.5661 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -3.1307 -2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 -3.5176 -2.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8343 -2.8635 -1.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1033 -2.3727 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5512 -1.2024 0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8723 0.1510 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 0.5856 -1.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 0.6006 -1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2283 0.0300 -1.1048 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 1.2749 -2.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2467 1.3724 -3.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 2.2989 -4.6019 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2764 2.4461 -4.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4729 3.3235 -6.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1062 3.4746 -6.4382 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7982 4.4634 -5.5413 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 4.0016 -8.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9124 1.9970 -6.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8804 1.8148 -7.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 0.4419 -7.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4394 -0.5373 -7.1586 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6734 3.5655 -4.2169 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 4.0649 -4.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 3.3239 -5.6225 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4813 5.3539 -4.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 5.1697 -3.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1659 4.9400 -1.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9251 4.6829 -0.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 4.5321 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 3.4619 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3219 3.4925 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 2.5676 1.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4554 2.6860 3.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 1.9380 3.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 0.4909 3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 -0.2473 4.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 -1.7209 4.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3556 -2.5788 3.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8696 -3.7876 3.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -5.0154 2.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3175 -5.9796 3.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 -7.2014 2.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4582 -8.2214 3.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -9.4332 3.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0103 -3.6579 4.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9355 -4.7421 4.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 -2.3446 4.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 -1.7286 5.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 1.0733 2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7847 0.2243 3.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0818 0.1664 3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6380 -1.0270 1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2964 -1.9883 2.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9103 -2.0055 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 0.5741 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3851 -1.3198 -1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2769 0.4549 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 0.2692 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4662 -2.3746 -1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0211 -0.9729 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4605 -3.5388 -1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0669 -2.6055 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0802 -4.9600 -1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -2.1550 -2.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 -3.8518 -2.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9319 -3.7491 -3.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7234 -4.6457 -1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2648 -2.1335 -2.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6899 -3.6855 -1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0368 -3.2511 0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2704 -2.1901 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0662 -1.2144 1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4955 -1.1885 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9868 0.3267 -0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 0.9452 0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7877 1.6778 -1.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9495 0.1140 -2.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7352 0.4320 -3.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7131 1.9183 -2.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 1.8436 -5.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9194 2.7930 -4.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 1.4631 -5.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6205 3.3973 -8.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7142 2.5637 -7.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4998 1.9074 -8.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9332 0.4463 -6.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3267 0.2258 -7.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 -1.3435 -6.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3193 -0.8221 -8.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7115 6.1450 -4.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2541 5.5810 -5.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 6.0957 -2.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8381 4.3107 -3.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6182 5.9106 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4021 4.1889 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 3.8691 -0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5597 5.5973 -0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 5.5162 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 4.2749 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2585 3.8002 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4397 2.4874 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 3.2897 2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 4.5515 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3763 1.5253 1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6572 2.8919 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5337 3.7738 3.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 2.3083 4.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0866 2.1766 4.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5367 2.4083 2.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 0.0832 3.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5297 0.2388 2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2368 0.0448 4.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9593 0.0956 5.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -4.8067 1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -5.5612 2.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 -5.5402 4.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 -6.3546 4.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -7.6623 2.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3207 -6.9242 2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8267 -8.5663 4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3895 -7.7857 4.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2013 -10.3165 3.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8988 -9.7507 3.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6218 -9.1978 1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1451 -5.4050 3.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5712 -5.3692 5.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -4.2833 5.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3871 -2.3565 6.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 -0.7456 5.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -1.4798 5.0004 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 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 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 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 54 55 1 0 50 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 48 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 22 89 1 0 22 90 1 0 23 91 1 6 24 92 1 0 24 93 1 0 28 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 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 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 57136 1 0 57137 1 0 57138 1 0 59139 1 0 59140 1 0 59141 1 0 M END