HMDB0286393 RDKit 3D PC(18:1(11Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 141140 0 0 0 0 0 0 0 0999 V2000 4.5168 -3.7984 -6.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 -4.1484 -5.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2688 -5.5608 -4.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8716 -5.9788 -3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5397 -5.0584 -2.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4036 -5.2460 -1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2858 -6.4967 -0.8328 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0789 -4.1278 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8784 -3.0880 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6712 -1.9135 0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5178 -0.9284 0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3135 0.2605 1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2259 1.4878 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2595 2.3288 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0133 2.3329 1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5602 1.3067 2.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3781 1.4909 3.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 2.7439 4.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6095 3.5196 4.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 3.3140 4.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 2.2259 4.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 2.9173 3.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 1.9912 2.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7484 0.8654 3.4803 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 2.3262 1.8946 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4275 1.5841 1.3779 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1416 0.9468 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 0.2922 -0.3753 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 -0.4974 -1.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4848 -0.6384 -2.2264 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7702 -1.1159 -1.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7863 -2.2046 -2.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2895 -1.8316 -4.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3509 -2.9800 -5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6141 -4.1843 -4.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 -3.9239 -4.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5772 -5.2235 -3.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1832 -5.2657 -3.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8058 -4.6249 -2.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 -3.2464 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 -2.2399 -1.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1675 -2.4465 -1.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -2.0423 -0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -2.6610 0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 -2.4608 1.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2286 -3.2027 2.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 -3.0933 3.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6667 2.4352 1.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 3.5064 0.3622 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7332 4.4671 0.1895 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.5158 4.0350 -1.0356 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6425 4.4382 1.5905 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.1504 6.0683 -0.0365 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1517 6.0031 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5244 7.3112 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8818 7.9976 -0.2716 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.3142 7.6007 1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 9.4322 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 7.8402 -0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0661 -3.6360 -7.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9861 -2.8644 -6.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7779 -4.6330 -6.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2978 -3.4118 -4.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -3.9825 -5.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5063 -6.3141 -5.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 -7.0747 -3.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4817 -5.2450 -2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 -3.9961 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4819 -5.1407 -1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6199 -6.5380 0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1896 -4.1755 0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7676 -3.1194 -1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 -1.8976 1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3956 -0.9347 -0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 0.1060 2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3063 0.2955 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1182 1.7154 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4155 3.2405 -0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 3.3767 1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1794 2.3940 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 0.2948 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 0.5700 4.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 2.5263 5.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2632 3.3957 3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9886 4.4927 5.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 4.1316 5.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 1.7753 5.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9956 1.4484 3.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 3.6664 4.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 3.5055 2.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6736 0.6896 2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3313 0.1968 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8292 1.7317 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2997 -1.4421 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4331 -0.2722 -2.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1768 -3.0571 -2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8204 -2.6630 -2.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0058 -1.0587 -4.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3246 -1.3500 -4.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0253 -2.6299 -6.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4206 -3.2469 -5.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1461 -4.6199 -3.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6603 -4.9458 -5.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9851 -3.0317 -3.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6403 -3.7228 -5.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2733 -5.7015 -3.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7014 -5.9212 -4.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 -6.3816 -3.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4764 -4.9247 -4.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3888 -5.2002 -1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2356 -4.9560 -1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1655 -2.9687 -1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 -1.2430 -1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5677 -1.7498 -2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 -3.4270 -2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0394 -2.1380 -0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 -0.9102 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -2.1665 1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9177 -3.7367 0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -1.3907 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 -2.9046 0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3763 -4.2795 2.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0484 -2.8271 3.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4541 -4.1084 3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9662 -2.5145 4.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8652 -2.5766 2.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5132 1.9046 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0328 2.8195 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6696 5.6459 -1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4144 5.2043 -0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 7.1034 -2.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3051 7.9597 -1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 7.9872 1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 6.5171 1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6347 8.1036 1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3218 9.8961 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1231 9.8806 0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1336 9.5708 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1186 7.5712 -1.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9057 8.7912 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0532 7.0588 0.3469 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 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 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 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 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 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 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 1 27 92 1 0 27 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 52 -1 56 1 M END