HMDB0009867 RDKit 3D PI(20:0/18:2(9Z,12Z)) 148148 0 0 0 0 0 0 0 0999 V2000 1.1386 1.4561 2.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 0.1683 2.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -1.0017 2.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8396 -2.2963 2.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2101 -2.7402 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0693 -2.9273 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 -2.2977 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8776 -1.2838 -1.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 -0.0347 -1.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 0.6450 -2.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6547 0.2168 -3.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 0.0908 -5.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0945 -0.2899 -6.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7629 -1.5787 -6.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0066 -2.8330 -6.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1741 -3.2428 -5.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 -4.5915 -5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3437 -5.0057 -4.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -5.5616 -4.9209 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 -4.8834 -3.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 -5.3571 -2.3128 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5701 -4.2578 -1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 -3.1601 -2.0764 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -2.0890 -1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4545 -2.1389 -0.0794 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1504 -0.9172 -1.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5251 0.1831 -0.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 0.7166 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2975 1.3100 -1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7734 2.4899 -1.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2599 3.6052 -0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1555 4.0620 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9589 4.6108 -0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 4.9888 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3221 5.5803 -0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3716 5.9034 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 6.5162 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6824 6.8435 0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2616 7.8171 1.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 8.1152 2.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0113 9.0531 3.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5496 10.3606 3.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1602 11.3087 4.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0299 10.6981 5.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5337 -6.4463 -1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4711 -5.9870 -0.6774 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2092 -7.1482 0.3405 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5811 -8.3655 -0.4292 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6989 -6.4676 0.8673 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -7.4362 1.7209 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4511 -6.4479 2.1863 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8446 -6.7299 2.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6302 -7.3018 1.5992 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4882 -5.3726 2.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8332 -5.5525 3.2685 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8129 -4.7463 4.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3553 -3.4661 4.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -4.5494 3.7630 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6494 -3.9945 4.8344 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7548 -5.8800 3.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 -5.7705 3.1618 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8173 2.3374 2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 1.5310 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 1.4661 3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 0.0305 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 0.2708 2.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8905 -0.7969 3.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1237 -1.0136 2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 -3.1000 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7869 -2.2550 3.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 -2.1870 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -3.8034 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 -3.6421 0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.4662 -1.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -1.7466 -2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 -1.1812 -0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 0.3669 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4464 1.5987 -2.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 1.0804 -4.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2912 -0.6447 -3.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2818 -0.4312 -4.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1954 1.1705 -5.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7223 0.5472 -6.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2021 -0.2802 -7.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 -1.5072 -7.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7072 -1.6747 -5.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3633 -2.9541 -7.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 -3.7131 -6.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6632 -2.5591 -5.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 -3.3589 -4.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0448 -4.3900 -6.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3044 -5.3398 -5.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9567 -5.7640 -2.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3476 -4.6825 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6913 -3.9355 -0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4807 -0.4776 -2.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0838 -1.2261 -2.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9961 1.0198 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2790 -0.2161 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -0.0136 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7884 1.5107 0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 0.5089 -1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4385 1.6079 -0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9723 2.8082 -2.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6367 2.1601 -2.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1148 3.2763 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5741 4.4571 -1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5872 4.9166 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 3.2810 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5335 3.8951 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2619 5.5201 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 5.6907 0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3962 4.0838 0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 4.9374 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 6.5600 -0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9711 6.6404 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6848 4.9733 1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9406 5.8445 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2381 7.4544 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1593 5.9418 1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4594 7.3856 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 7.2962 2.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 8.7440 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2819 8.5118 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7385 7.1369 3.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2261 8.6086 4.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8927 9.2641 4.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3117 10.8311 2.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6203 10.1948 2.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9813 11.5401 5.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 12.2387 4.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 9.8920 5.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 11.4773 5.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2697 10.2911 4.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2935 -7.3263 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3371 -6.7637 -0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3853 -7.1530 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4453 -5.5714 1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9254 -7.2920 3.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 -7.1930 1.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4112 -4.6797 2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9134 -6.0461 4.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9033 -5.3533 5.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -2.7931 4.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2674 -3.8805 2.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2674 -3.9984 5.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9236 -6.6026 4.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 -5.8687 3.9648 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 1 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 2 0 24 26 1 0 26 27 1 0 27 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 60 51 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 6 22 94 1 0 22 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 49137 1 0 51138 1 6 52139 1 0 53140 1 0 54141 1 0 55142 1 0 56143 1 0 57144 1 0 58145 1 6 59146 1 0 60147 1 0 61148 1 0 M END