HMDB0011386 RDKit 3D PE(P-18:0/20:4(8Z,11Z,14Z,17Z)) 130129 0 0 0 0 0 0 0 0999 V2000 16.9107 4.9901 -2.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5975 3.9080 -1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8246 4.4706 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6234 4.0278 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9260 2.9490 -0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6607 3.5732 -1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4715 3.1583 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2434 1.9895 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4383 0.9450 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3132 0.5278 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7271 1.0442 1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3939 1.6141 0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2818 1.2325 1.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2227 0.1757 2.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 -0.9573 1.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9449 -0.5488 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 -0.0158 2.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8032 0.3898 2.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9422 -0.7120 1.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1737 -1.2235 0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -0.5148 -0.3178 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 -2.5426 0.3074 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -3.1078 -0.9717 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2017 -3.7904 -1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 -2.9128 -1.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -1.7716 -2.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7473 -1.3582 -2.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7963 -2.1464 -1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5815 -1.3751 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 -0.2270 -1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1081 0.6093 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 -0.1387 0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1972 -0.8150 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0625 -0.1579 -1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0066 0.9209 -0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4046 2.1871 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2775 3.2756 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2348 3.9253 -0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3777 3.2107 -1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2965 2.5668 -0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9398 3.4894 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7844 4.5052 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8461 3.7769 -0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -4.2305 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7203 -5.2117 -0.0242 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7823 -6.5031 0.1428 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8483 -6.1315 1.1523 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -6.9548 -1.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 -7.8518 0.7978 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7514 -7.3718 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 -8.5501 1.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 -9.4857 0.9089 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1620 5.0282 -3.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9291 5.9889 -1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9297 4.7742 -2.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6241 3.6701 -0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2709 2.9835 -1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2849 5.2779 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0989 4.4673 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7960 2.0776 -0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4997 2.5830 -1.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7331 4.4478 -1.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5884 3.6671 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2438 1.4989 0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7871 2.2832 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7768 0.4898 -1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7351 -0.2582 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5584 0.0887 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3534 1.7257 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3357 2.4239 0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 1.7226 1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6589 0.5718 3.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 -0.2140 2.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3309 -1.8209 2.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8041 -1.2980 0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4727 -1.5278 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 0.1904 0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7504 0.8493 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1914 -0.8047 3.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 1.3096 1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3557 0.7236 3.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0047 -1.6201 2.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1536 -0.4499 2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -2.4476 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 -4.5525 -0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0961 -4.3651 -2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6979 -1.1886 -2.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -0.4638 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 -2.4083 -2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4382 -3.1165 -1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8525 -0.9975 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2290 -2.0806 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 -0.5703 -1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4881 0.4665 -1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4553 1.4957 -0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3895 0.9844 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5335 0.4202 1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5901 -1.0001 1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7448 -1.7195 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8820 -1.3439 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5282 0.2070 -2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7273 -0.9802 -1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8092 0.5375 -0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6340 1.1909 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8292 2.5904 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5370 2.0482 0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7663 2.9779 1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5606 4.1066 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6388 4.3386 -1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5625 4.9049 -0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1302 2.5689 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0237 4.0376 -1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0949 2.0468 -0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8128 1.7570 0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2027 4.0217 1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5735 2.9129 1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2731 5.1426 0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1889 5.1560 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7506 4.3994 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5112 3.5145 -1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1416 2.8351 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1422 -3.8217 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 -4.6648 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4518 -6.7626 -1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1543 -6.8466 0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0233 -6.6575 2.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -9.0025 2.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9513 -8.1924 2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 -10.2160 0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -8.9682 0.0392 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 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 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 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 6 24 85 1 0 24 86 1 0 26 87 1 0 27 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 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 48124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 M END