HMDB0262395 RDKit 3D PE(18:1(12Z)-O(9S,10R)/20:4(5Z,8Z,11Z,14Z)) 128128 0 0 0 0 0 0 0 0999 V2000 5.3097 0.0435 -4.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 -0.1336 -2.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9538 -1.4151 -2.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9289 -1.6702 -1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4883 -1.7987 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7902 -2.9055 -1.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2371 -3.9600 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2066 -4.2436 0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 -4.4309 1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 -3.7522 1.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4638 -2.6567 2.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.9850 2.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5322 -1.9521 3.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3366 -2.5778 5.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -1.4785 6.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -1.2145 7.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -1.8612 7.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.8651 6.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 -0.3368 5.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0189 0.6913 5.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6365 1.1088 6.3622 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 1.2251 4.1158 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 2.2103 3.9959 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6851 1.7572 3.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6761 1.2149 2.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9047 0.8361 1.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9037 1.0326 2.4114 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2548 0.2493 0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4945 1.3523 -0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9984 0.8861 -1.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1044 -0.1038 -2.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7689 -0.4853 -3.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9827 -1.4626 -4.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7811 -2.7402 -4.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1072 -3.7527 -4.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9381 -4.9838 -4.0849 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8806 -4.4289 -4.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6094 -4.0066 -4.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 -3.7179 -2.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 -2.5341 -2.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9209 -1.3794 -3.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 -0.9284 -2.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6202 -0.5406 -1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2772 0.5991 -0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0692 0.9327 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8581 3.5030 3.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2592 3.4810 2.2758 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6922 5.0342 1.9159 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2497 5.6524 3.2382 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8814 6.0075 1.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 4.9582 0.9476 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3019 5.0821 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 5.0140 -1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 5.1441 -2.6953 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8196 1.0104 -4.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3778 0.1073 -4.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8225 -0.7940 -5.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1748 -0.1398 -2.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7608 0.7257 -2.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0350 -1.2367 -2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6456 -2.2697 -3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5137 -2.5657 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3312 -0.7566 -0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6528 -1.9387 0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9709 -0.8344 -0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 -2.8150 -2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 -4.6759 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 -3.4642 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7642 -5.2375 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -5.2820 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0121 -4.0711 2.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 -1.8270 2.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -2.9379 3.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -1.4118 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4855 -1.3982 3.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2456 -3.2227 5.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4266 -3.1435 5.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3243 -0.8848 6.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.3533 7.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 -2.7004 6.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0473 -2.3109 8.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 -1.3843 7.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0253 -0.0468 7.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 0.1648 5.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1516 -1.1136 4.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6923 2.4376 5.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0877 0.9289 4.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4842 2.5407 3.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4974 -0.4808 -0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 -0.3315 0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2265 2.0488 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5455 1.9199 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0977 1.7704 -2.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0208 0.4685 -1.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 0.3265 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0037 -1.0208 -2.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0233 0.4361 -4.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7957 -0.8992 -3.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5422 -1.6564 -5.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0071 -1.0305 -5.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2184 -2.5379 -3.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7807 -3.1224 -3.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7661 -3.9843 -5.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6386 -5.1235 -5.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8748 -4.8928 -4.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -3.2500 -4.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0039 -4.5213 -2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4618 -2.4537 -1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6258 -0.5281 -2.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 -1.4726 -4.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2139 -1.7054 -2.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -0.0381 -3.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6894 -0.2738 -1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 -1.4177 -0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 1.4846 -1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.3693 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0339 0.9658 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4321 1.9025 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5017 0.1055 1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1217 3.9215 4.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6576 4.3004 3.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0444 5.8206 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1853 6.0759 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 4.2301 -0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 5.7986 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 4.0369 -1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 4.6145 -3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0425 5.0069 -2.8247 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 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 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 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 23 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 37 35 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 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 1 24 87 1 0 24 88 1 0 28 89 1 0 28 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 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 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