HMDB0262012 RDKit 3D PE(20:1(11Z)/18:3(9,11,15)-OH(13)) 132131 0 0 0 0 0 0 0 0999 V2000 14.2795 0.2406 6.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8350 0.5010 7.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2078 1.2543 6.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1554 0.8923 5.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6628 1.7734 4.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6559 1.0849 3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2013 1.9366 2.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7298 -0.0993 3.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2296 -0.6399 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 -1.7685 2.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8933 -2.2401 0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9702 -3.3998 0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6548 -3.0255 0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0315 -2.6006 -1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -2.2137 -2.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1107 -1.0587 -1.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9572 0.1530 -1.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2733 1.3653 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 1.8762 -1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7796 3.0357 -1.3287 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 1.2620 -2.6901 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 1.7148 -3.5733 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4694 0.9866 -3.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 0.9354 -2.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2819 0.4441 -1.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7648 -0.0935 -1.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4374 0.5368 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -0.8789 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1467 -1.7256 -1.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1768 -1.3691 -2.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5791 -1.2485 -1.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9353 -0.2425 -0.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4485 -0.1387 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1880 0.2585 -1.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6737 0.3525 -1.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0434 1.3200 -0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7560 1.0434 0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2782 -0.2700 0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8288 -0.8152 2.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2457 0.0700 3.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7428 0.2565 3.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1606 1.1021 4.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8648 0.6108 5.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5344 -0.6206 6.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2875 -1.8809 5.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3432 2.0139 -4.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3168 2.4649 -5.7517 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 2.8883 -7.2971 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5631 3.5838 -7.9497 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0563 3.9876 -7.3188 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1018 1.5498 -8.2444 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 0.5894 -8.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4836 -0.5653 -9.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 -0.0804 -10.4195 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7760 -0.4731 7.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2371 -0.0946 5.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7681 1.2445 7.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9049 1.0835 8.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3637 -0.4840 7.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6901 2.2148 6.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6865 -0.0610 5.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 2.1401 4.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3499 2.6371 4.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6512 0.7251 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0090 2.3775 1.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4710 -0.5181 4.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5357 -0.1576 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0133 -2.2582 2.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2587 -1.7234 0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5028 -4.1947 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6944 -3.7458 1.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1522 -2.2391 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0047 -3.9168 0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7604 -1.7573 -1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 -3.4774 -1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1842 -2.0146 -3.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -3.0488 -2.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1596 -0.8346 -1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7477 -1.3602 -0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8489 -0.0732 -0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3732 0.4093 -2.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0741 2.1189 -0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 1.1322 0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 2.7610 -3.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6276 -0.0313 -4.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0852 1.5344 -4.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 1.0316 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2368 1.1423 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4251 -0.9038 0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8043 -1.3011 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1353 -1.9302 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3271 -2.7748 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8289 -0.3819 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 -2.1104 -3.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8318 -2.2798 -1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2862 -1.2695 -2.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5074 -0.4648 0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5714 0.7574 -1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7934 -1.1032 -0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5793 0.6242 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9915 -0.3356 -2.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8929 1.3090 -2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1208 0.7358 -2.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0138 -0.6934 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6777 2.3585 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9956 1.8638 1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4089 -0.1723 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1729 -1.0550 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2884 -1.8067 2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7360 -0.9484 2.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7426 1.0761 3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8971 -0.3387 4.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2294 -0.7233 3.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0669 0.8051 2.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8480 2.1735 4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3012 1.1797 4.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1414 1.4277 6.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7452 0.5142 6.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2028 -0.7562 7.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6524 -0.4015 6.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1391 -2.1717 4.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3021 -2.7314 6.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3057 -1.9386 5.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 1.1234 -5.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0715 2.8376 -4.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 4.6140 -6.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9488 0.2549 -7.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1347 0.9950 -8.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3823 -1.0972 -8.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -1.2799 -9.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5657 0.9353 -10.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -0.4685 -10.9496 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 2 0 25 27 1 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 2 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 22 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 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 22 84 1 1 23 85 1 0 23 86 1 0 27 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 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 50126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 M END