HMDB0008231 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/15:0) 125124 0 0 0 0 0 0 0 0999 V2000 2.0682 -2.6623 -0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 -2.1032 0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 -2.4862 1.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2192 -1.6399 1.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 -0.1524 1.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 0.3582 3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 1.0862 3.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 1.5655 3.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8457 1.0583 3.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0315 1.8869 4.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 3.3082 4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7863 4.2689 4.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9453 4.2100 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 2.9887 3.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 3.0604 1.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0009 3.0844 0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 1.7758 0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1597 0.6815 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5035 0.6561 -1.0211 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 -0.2551 1.0498 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 -1.3026 0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0023 -2.3064 -0.2476 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8393 -3.0466 0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2892 -3.5133 1.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -4.3595 2.4626 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0908 -4.9843 1.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7483 -5.5987 3.4325 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.2200 -3.3430 3.5031 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6455 -3.4999 4.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1339 -2.5890 5.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5476 -2.8238 5.7287 N 0 0 0 0 0 4 0 0 0 0 0 0 1.9234 -3.9752 6.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 -2.9849 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 -1.6555 6.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 -1.8157 -1.5136 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -2.3430 -2.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0135 -3.3095 -2.4906 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9128 -1.9007 -4.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5945 -2.4005 -4.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4233 -1.8882 -3.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3551 -0.3758 -3.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8367 0.0271 -2.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 1.5266 -2.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 1.7906 -2.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 3.1988 -1.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 4.1166 -2.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 3.9033 -3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9769 2.6767 -4.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 2.6453 -5.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1469 1.3835 -6.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 1.3603 -7.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0464 -2.9760 -1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 -1.8928 -1.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 -3.5171 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2578 -2.6369 1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9588 -1.0309 0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5306 -3.5721 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 -2.0923 2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 0.1425 1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 0.1678 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 0.0840 3.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4085 1.3886 4.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 2.6185 2.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9421 1.0515 1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.0245 3.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 1.3508 4.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2158 3.5992 4.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 3.5178 5.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4365 5.3568 4.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5092 5.1804 3.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1245 2.0576 3.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6389 2.9976 3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 2.2396 1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6498 4.0370 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4095 3.2551 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 3.9165 0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4641 1.8752 -0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 1.5091 1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4509 -0.8085 0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8548 -1.8365 1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7879 -3.1212 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 -2.3142 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5597 -3.8811 -0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6745 -4.5342 5.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7093 -3.1289 4.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2115 -2.7213 6.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -1.5208 5.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0073 -3.8484 6.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8644 -4.9197 5.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 -3.9731 7.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9516 -4.0013 4.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2193 -2.8716 4.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -2.1818 3.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0097 -1.9894 7.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4727 -1.0150 6.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6183 -1.0078 5.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7005 -2.3138 -4.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0069 -0.7920 -4.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 -3.5065 -4.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 -2.1731 -5.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4644 -2.2942 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5012 -2.2638 -4.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 0.1153 -3.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 -0.0422 -4.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6212 -0.3523 -1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7523 -0.4807 -3.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1334 1.8949 -3.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 1.9547 -2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8634 1.4266 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0392 1.0722 -2.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8131 3.6451 -1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5051 3.1904 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 4.3788 -3.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0672 5.1343 -2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 4.0473 -3.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 4.7730 -4.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0748 2.6919 -5.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0714 1.7895 -4.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2199 3.5286 -6.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0817 2.5601 -4.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0367 1.2562 -7.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0242 0.5424 -5.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9859 1.1373 -6.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 2.3072 -7.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0276 0.5181 -8.0186 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 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 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 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 21 79 1 0 21 80 1 0 22 81 1 6 23 82 1 0 23 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 32 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 34 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 M CHG 2 27 -1 31 1 M END