HMDB0011392 RDKit 3D PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 134133 0 0 0 0 0 0 0 0999 V2000 18.2221 -1.0949 0.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8067 -0.5059 0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6143 0.3562 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2896 1.0418 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1575 0.0082 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8611 0.6795 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9078 0.5706 0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0358 -0.2773 1.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8800 0.6331 2.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9567 0.5188 3.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9161 -0.5358 3.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5621 0.0760 3.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -0.2002 2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0318 -1.1395 1.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -0.3654 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1358 -0.6303 -0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1554 -1.7126 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 -1.0885 -1.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -1.1870 -0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9567 -1.8937 1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 -1.0028 2.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 -0.4285 2.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0022 0.5109 2.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -0.8209 1.2934 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 -0.2874 1.1669 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8877 -1.3740 1.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2431 -0.9605 1.2767 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7385 -0.4458 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6433 0.5140 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1858 1.0944 1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7000 0.8745 1.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2558 1.5620 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7859 1.4303 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1434 2.1657 -1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5482 2.2077 -1.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5742 2.8412 -0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8716 2.3602 0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2268 0.9791 0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4320 0.4065 0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4793 0.2070 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7416 -0.3779 -1.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1773 -1.7266 -1.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4481 -2.1624 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4882 -1.3604 0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6127 -1.9675 2.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 0.3577 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -0.6062 -1.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 0.0396 -2.7179 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1368 1.5516 -2.6096 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5513 -0.3403 -3.6294 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2071 -0.6006 -3.4135 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 0.2232 -4.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9704 -0.3548 -5.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0051 -0.5180 -4.0156 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5451 -1.1420 -0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9493 -0.4565 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2237 -2.1428 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6804 0.0307 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1126 -1.3658 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7267 -0.2864 -1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4097 1.1488 -0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2145 1.6634 -1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1461 1.7289 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3625 -0.5676 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3015 -0.7243 0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7124 1.3206 -1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9652 1.1311 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2060 -1.0461 1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0044 -0.7682 1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6055 1.4605 2.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8852 1.2330 4.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0922 -1.4201 2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9419 -0.9214 4.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2648 0.7667 4.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 0.2877 2.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9319 -1.7411 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1872 -1.8883 1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6494 0.4940 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1298 -0.0115 -1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3104 -2.2744 -1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2291 -2.4807 -0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6228 -0.5136 -2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 -0.6792 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0806 -2.6191 1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8325 -2.5377 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 -1.6410 3.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4222 -0.1375 2.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0361 0.5374 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 -1.6954 2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6371 -2.2187 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3817 -0.8344 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9721 0.8828 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0314 2.1935 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 0.6300 2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8259 -0.2330 1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1642 1.1947 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 2.6038 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8952 0.9989 -0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9813 0.3387 -0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2782 1.7169 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5340 1.7331 -2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7340 3.2328 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5546 2.7857 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8437 1.1766 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4849 3.0809 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0891 3.9139 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2017 2.8314 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8550 2.9576 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3425 0.2676 0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4256 0.9480 1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3377 1.0647 0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7144 -0.5597 0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2168 1.1320 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6395 -0.5027 -1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6457 -0.3451 -2.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5849 0.3876 -1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4211 -2.4583 -1.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1049 -1.9351 -2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5987 -2.5124 0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0231 -3.1836 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2974 -0.2875 0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5023 -1.4936 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8173 -1.4899 2.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5963 -1.7973 2.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3469 -3.0653 2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 0.9945 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 1.0533 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 -0.9055 -3.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8979 1.2234 -3.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9609 0.3226 -5.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 0.3572 -5.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7854 -1.2996 -5.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7768 -1.2639 -3.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8607 -0.8541 -4.5395 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 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 44 45 1 0 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 1 26 89 1 0 26 90 1 0 28 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 44121 1 0 44122 1 0 45123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 50128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 M END