HMDB0285268 RDKit 3D PE(P-16:0/20:3(6,8,11)-OH(5)) 127126 0 0 0 0 0 0 0 0999 V2000 19.5239 -1.5601 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1055 -2.0897 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2857 -1.6609 -1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8907 -2.1537 -1.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0691 -1.7242 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8927 -0.2209 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2341 0.3555 -1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8823 -0.1778 -1.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7957 0.1739 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9049 1.0150 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0069 1.4836 1.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6516 1.1180 1.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8172 0.2879 1.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4183 0.1490 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 -0.6865 1.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1949 -0.9615 1.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -2.3341 1.4745 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2519 -0.2773 0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 -0.5764 0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9138 0.1129 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5111 -0.2391 0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2532 -1.0163 1.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 0.2438 -0.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8906 -0.1685 -0.1445 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3812 -0.9540 -1.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6312 -1.4959 -1.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7876 -0.7974 -0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 -1.3467 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1045 -0.6774 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1417 0.7125 -0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3665 1.5043 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5163 1.1568 -1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0069 -0.2230 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2825 -0.4538 -2.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4148 0.3747 -1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7047 0.0138 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0536 -1.4565 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2663 -1.8641 -0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5037 -1.1477 -0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0460 -1.3286 1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5577 -2.6497 1.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5699 -3.7601 1.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7145 1.0141 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8531 1.9642 -0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8227 3.2313 -0.2478 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0081 3.4421 -1.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3784 2.8679 1.3301 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9435 4.6500 -0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6676 4.4711 -0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 5.7465 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 5.5671 -1.0174 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4931 -0.7105 -0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1985 -2.3122 -0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9105 -1.1437 0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6986 -1.6890 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1343 -3.2026 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4088 -0.5878 -1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7883 -2.1730 -1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3417 -1.8886 -1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9426 -3.2831 -1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5538 -2.0726 1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0585 -2.1712 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2346 -0.0900 1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8484 0.2853 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8411 0.1118 -1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2497 1.4712 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9049 -1.3120 -1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4828 0.1039 -2.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8575 -0.3740 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9238 1.5340 0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5813 1.5067 2.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9746 2.6505 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1885 1.6836 2.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1199 -0.2878 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0762 0.7202 2.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 -1.2494 0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9489 -0.6541 2.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2245 -2.5908 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4395 -0.6968 -0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 0.8127 0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.6452 0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 -0.2056 1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1641 -0.1283 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 1.2275 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8139 -0.8369 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2773 -0.3112 -2.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 -1.8045 -1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8786 0.2108 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6470 -2.3798 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8940 -1.3720 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1156 -0.6015 1.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8147 0.6653 -1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2636 1.2597 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6777 1.5583 0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1094 2.6101 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2064 1.3620 -2.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3734 1.9090 -1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1393 -0.6431 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2469 -0.9010 -1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0064 -0.1686 -3.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5151 -1.5255 -1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3106 0.2253 -2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2284 1.4643 -1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8047 0.2110 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5260 0.6202 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2273 -2.1234 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3154 -1.5791 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3197 -2.9650 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0393 -1.6213 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3308 -1.3667 -1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3590 -0.0284 -0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2496 -0.9511 1.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9110 -0.5995 1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9685 -2.5769 2.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4803 -2.9488 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7603 -4.4612 2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5217 -3.4671 1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6474 -4.4027 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 0.7745 0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1848 1.4826 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3907 3.6718 1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 3.6566 -0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 4.2155 -1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 6.0235 0.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 6.5772 -1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 5.3931 -0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 6.4517 -1.4770 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 1 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 2 0 15 16 1 0 16 17 1 0 16 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 2 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 24 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 1 25 86 1 0 25 87 1 0 27 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 47121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 M END