HMDB0271425 RDKit 3D PG(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/i-15:0) 124123 0 0 0 0 0 0 0 0999 V2000 4.9071 0.8568 -5.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3865 0.6402 -4.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 1.9082 -5.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 2.6425 -4.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6681 2.2520 -3.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 2.1379 -2.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 1.0231 -2.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 -0.2589 -2.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -0.8676 -1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6789 -0.0067 -0.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 -2.1674 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 -3.0442 -1.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5982 -4.3197 -1.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 -5.1723 -2.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -4.9669 -4.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2231 -6.1599 -4.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4976 -6.3171 -4.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5771 -5.4554 -3.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4291 -4.0496 -3.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8385 -3.5663 -2.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -2.1979 -2.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8239 -1.3875 -2.6424 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7384 -1.7692 -1.5592 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9837 -0.6109 -0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8094 -0.2658 0.0088 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4776 -1.4452 0.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3365 -1.1521 1.6354 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8285 -2.3594 2.6446 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4597 -1.7572 3.9903 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 -3.1030 2.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9957 -3.5457 2.8951 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3896 -4.8214 2.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 -5.8997 3.1502 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3782 -5.9013 2.1693 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 -7.2377 3.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6165 -8.2377 3.6469 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 0.8517 0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 2.0406 0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4327 2.0692 -0.1041 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6822 3.1354 1.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9902 4.4190 1.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 4.3681 1.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 5.7367 1.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 5.6633 1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 4.7628 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6547 4.6950 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 4.1865 1.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9338 2.7740 1.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6554 2.3318 3.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 2.3735 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7527 1.9059 4.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2663 1.9411 4.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2923 2.8136 5.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1136 0.6259 -6.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 1.9116 -4.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4067 0.1863 -4.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2423 0.3162 -3.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1095 -0.1662 -5.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8499 2.3055 -6.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 3.5828 -4.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 3.2089 -2.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.5046 -2.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 3.0414 -2.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4723 0.9942 -2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -0.9427 -3.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 -0.2382 -2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8366 -1.1190 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6403 0.9435 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5484 -2.3168 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2343 -2.7623 -2.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 -4.5574 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 -6.1099 -2.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2805 -4.8386 -4.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 -4.0475 -4.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 -7.0517 -4.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 -7.4037 -4.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1689 -5.9584 -2.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -5.4867 -4.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8227 -3.9340 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1758 -3.3133 -4.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -3.5411 -3.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2673 -4.3001 -2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8459 -0.7773 -0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2571 0.2614 -1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9297 -0.0845 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3034 -1.7341 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1764 -2.3313 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1487 -3.8655 2.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 -4.8076 3.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 -4.9247 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8857 -5.6812 4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -6.7206 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9619 -7.1883 4.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 -7.5527 2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2295 -9.0867 3.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7926 3.3065 1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 2.8530 2.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 5.1355 2.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 4.8655 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1488 3.7433 0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1218 3.9314 2.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2029 6.4139 2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 6.1416 0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 6.6610 1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 5.3577 2.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 3.7133 0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 5.1760 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 5.7051 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 4.0499 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4262 4.1485 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2026 4.8848 2.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8539 2.6575 2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1872 2.0560 1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 3.0062 3.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3183 1.3026 3.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 3.4082 2.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 1.7806 2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4388 0.8805 4.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5223 1.8299 3.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6912 1.0950 4.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6501 2.9357 4.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4557 2.3544 5.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1484 3.0601 6.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9218 3.7614 5.0100 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 1 0 9 11 1 0 11 12 2 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 25 37 1 0 37 38 1 0 38 39 2 0 38 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 51 52 1 0 51 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 6 26 86 1 0 26 87 1 0 30 88 1 0 32 89 1 0 32 90 1 0 33 91 1 1 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 52119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 53124 1 0 M END