HMDB0260710 RDKit 3D PE(14:1(9Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) 119118 0 0 0 0 0 0 0 0999 V2000 -10.4231 5.7049 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4950 4.6462 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0243 3.4692 -1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7592 2.9164 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2611 1.7448 -1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1315 0.5347 -0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4828 0.2383 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3052 -0.3423 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8945 -1.6267 0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8757 -2.4793 1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4797 -2.0864 1.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1438 -0.9756 2.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 -0.7709 2.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0739 -0.3674 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8122 -0.2756 1.3509 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 -0.0521 0.4181 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4338 0.3557 -0.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6332 -0.5334 -1.7012 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4716 -1.7014 -2.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6504 -1.3304 -2.7673 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6203 -2.4743 -3.4748 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.9805 -1.7784 -3.8394 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0144 -2.8892 -5.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0068 -3.8415 -2.6952 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2512 -4.3877 -1.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8651 -5.7050 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -6.2714 -0.1692 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4577 -0.9631 -1.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1965 -0.5916 -1.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1565 0.2150 -2.5043 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9887 -1.1459 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 -0.5173 -1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5596 -0.5609 -2.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 0.0746 -2.8765 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3153 0.1246 -4.2021 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 1.3330 -2.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7106 1.4982 -1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 0.5059 -0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 0.8017 0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1849 -0.1697 1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8445 0.1476 2.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7786 -0.8296 2.9309 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5456 -2.0786 2.3775 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2360 -0.4439 2.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6179 -0.3480 1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0726 0.7563 0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2710 2.0252 1.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7346 2.4802 1.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1661 2.6482 0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6157 3.0991 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4531 2.0266 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8111 5.5782 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8689 6.7313 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7641 5.5491 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4789 5.0304 -0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5990 4.2651 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6977 3.7646 -2.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7946 2.6876 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9868 2.8423 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9943 3.7304 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9672 1.8724 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7454 -0.2895 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2671 -0.5543 0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8167 1.1086 1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5277 0.4520 1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6691 -0.4707 2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8536 -2.2611 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6664 -1.4801 -0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3160 -2.9126 2.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8461 -3.4444 0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 -1.9672 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9351 -3.0051 2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 -1.1157 3.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5647 -0.0051 2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1785 -1.7541 3.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3905 -0.0763 3.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 1.3564 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3678 0.7265 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 0.1001 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -2.1147 -3.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5382 -2.4422 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0534 -2.6257 -5.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2023 -4.5864 -1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2982 -3.7293 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8874 -5.5339 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9128 -6.4637 -2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6133 -6.8088 0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 -5.5471 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8878 -0.9532 0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9906 -2.2608 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1322 -0.9483 -0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 0.5560 -0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 0.0894 -3.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5974 -1.6046 -3.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 -0.7013 -2.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2502 0.3750 -4.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3097 2.1519 -2.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 2.4764 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -0.4470 -0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1215 1.7785 1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 -1.1469 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7046 1.1469 2.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5316 -0.9363 4.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9418 -2.2148 1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8148 -1.3096 3.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3926 0.4402 3.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5216 -1.2322 0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3326 0.7316 -0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8421 2.1551 2.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7527 2.8075 0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8016 3.4489 2.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3500 1.6767 1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5313 3.3347 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1491 1.6285 -0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9333 3.1576 -1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7166 4.0866 0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3431 2.1632 1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0790 1.0214 0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5081 2.1132 0.4011 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 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 17 77 1 0 17 78 1 0 18 79 1 6 19 80 1 0 19 81 1 0 23 82 1 0 25 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 1 35 96 1 0 36 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 40101 1 0 41102 1 0 42103 1 1 43104 1 0 44105 1 0 44106 1 0 45107 1 0 46108 1 0 47109 1 0 47110 1 0 48111 1 0 48112 1 0 49113 1 0 49114 1 0 50115 1 0 50116 1 0 51117 1 0 51118 1 0 51119 1 0 M END