HMDB0283383 RDKit 3D PS(18:3(9,11,15)-OH(13)/22:5(4Z,7Z,10Z,13Z,16Z)) 133132 0 0 0 0 0 0 0 0999 V2000 17.0843 6.1160 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0540 4.8322 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6476 4.3805 0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3165 3.1775 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9303 2.7095 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3360 2.4599 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3591 3.6447 -1.9103 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9475 1.9882 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9451 2.7849 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 2.2432 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5594 3.0008 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1657 2.4351 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1564 0.9807 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7643 0.4336 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7491 1.1060 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 0.4545 -1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 0.5755 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 -0.0969 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6859 -1.5466 0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1486 -1.9480 -0.7809 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3639 -2.4157 1.0535 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5462 -3.7779 0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -4.5773 1.0365 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6762 -6.0392 0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 -6.9157 1.2326 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 -8.5239 1.1217 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4318 -8.6085 0.3247 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 -9.1811 2.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0854 -9.3998 0.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3053 -8.8654 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4249 -9.6831 -1.5391 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7234 -9.1865 -2.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5951 -9.6350 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4803 -10.0357 0.5356 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8232 -9.1609 -1.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2475 -4.2192 0.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9844 -3.7719 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0855 -3.7229 1.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 -3.3647 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -2.7846 0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8252 -1.5960 1.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3641 -0.4037 1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5114 -0.1217 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6685 0.3751 1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2057 1.5370 0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7273 2.4778 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3055 3.7055 0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8396 4.8666 0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9236 5.0929 -0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0747 5.6497 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2780 5.1675 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6506 3.8884 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0612 2.9501 0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2416 2.4167 0.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3021 2.6973 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4665 3.3070 0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6112 3.6405 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1438 2.4300 -1.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6644 1.3847 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4070 5.9686 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7653 6.9776 0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1139 6.2258 -0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6807 4.0840 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4488 4.9677 1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9259 4.9984 1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0473 2.5411 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8916 1.7357 0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3004 3.4533 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9412 1.7191 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1176 4.4007 -1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7235 0.9599 -1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1650 3.8175 -0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3845 1.1962 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6700 4.0392 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5224 2.9929 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7510 2.5534 0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5273 0.7960 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7906 0.4235 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7169 -0.6592 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 0.5075 0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6907 2.2071 -1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0587 0.8617 -2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 0.9067 -1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 -0.6210 -1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6432 0.2950 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7224 1.6722 0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8218 0.4245 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 0.0098 1.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9008 -3.9855 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 -4.1708 1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 -4.4251 2.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5824 -6.2002 1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -6.2318 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 -9.4022 3.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -7.8015 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -8.9911 -1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 -10.7390 -1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8556 -9.3347 -3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8981 -8.1438 -2.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6616 -9.3042 -0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5401 -4.2694 -0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7678 -2.6133 -0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4722 -3.5857 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1813 -2.6455 0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9888 -1.6472 2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 0.4123 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8515 -0.9772 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0995 0.6511 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0821 -0.2544 1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0814 1.8879 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5836 2.6257 -0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9194 2.1155 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4852 3.5633 1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 5.7185 0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5296 5.9888 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1188 4.3519 -1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8779 6.6084 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0618 5.6804 0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3913 4.0813 -1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7540 3.4499 -0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3435 2.6633 1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5028 1.7018 1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6384 1.6994 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0909 3.3392 -1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1389 4.2359 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7666 2.5596 1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2590 4.3583 -1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4341 4.1468 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3340 2.0071 -1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9701 2.7948 -1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1905 0.4050 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5333 1.6411 0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7638 1.2529 -0.3421 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 33 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 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 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 22 89 1 0 22 90 1 0 23 91 1 1 24 92 1 0 24 93 1 0 28 94 1 0 30 95 1 0 30 96 1 0 31 97 1 6 32 98 1 0 32 99 1 0 35100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 51118 1 0 52119 1 0 52120 1 0 53121 1 0 54122 1 0 55123 1 0 55124 1 0 56125 1 0 56126 1 0 57127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 59132 1 0 59133 1 0 M END