HMDB0113678 RDKit 3D PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) 136135 0 0 0 0 0 0 0 0999 V2000 16.8285 -2.5178 3.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6530 -1.8455 4.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7251 -0.3801 4.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7939 0.3281 3.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5726 -0.2398 3.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4242 0.3093 4.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5158 1.0581 3.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3229 1.5789 2.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2234 1.3790 1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0871 0.7682 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9106 0.0789 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7111 -0.0565 0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 0.4545 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3626 1.2406 -1.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8867 2.6198 -1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8293 3.2158 -1.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8915 2.5824 -2.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5017 2.4853 -1.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8617 1.3578 -1.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4251 0.0621 -2.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3547 -0.9013 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9152 -1.1677 -0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 -2.3575 -0.9625 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 -0.3412 -0.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6176 -0.5571 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 -0.9716 -1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -0.1591 -2.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1419 -0.7467 -3.5176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 0.1263 -4.8589 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8323 0.3704 -4.8806 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4454 1.6109 -4.8665 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 -0.7949 -6.2532 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3785 -0.8669 -6.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8207 -1.6611 -7.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 -1.6441 -7.5773 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -0.2971 -7.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4903 -1.1291 -1.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1744 -2.3224 -1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -3.3195 -1.4876 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6364 -2.4621 -1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3286 -1.1682 -0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -0.7953 0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3088 0.4706 1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 0.8621 1.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4572 1.1300 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8191 1.6752 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9957 1.0033 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0027 0.9015 2.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0812 0.1744 2.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4902 0.5795 2.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1386 0.3374 1.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5134 0.8408 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6760 0.3683 2.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6953 0.5238 3.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0788 0.1050 4.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3548 -1.3304 3.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6233 -2.7119 2.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7400 -1.9013 4.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0326 -3.5064 4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.0532 5.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6978 -2.3088 4.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6022 0.1529 5.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9533 1.4192 3.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6308 -1.3684 3.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6217 -0.0283 2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3271 0.0607 5.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7113 1.3643 4.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 1.4668 1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2898 2.7720 2.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2481 1.8950 1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0180 0.7969 -0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7768 0.4344 -1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2410 -1.0309 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7431 -0.6549 1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6992 0.2805 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2149 1.2744 -1.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5735 0.6620 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5076 3.2168 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5703 4.2480 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 3.3494 -3.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3263 1.6731 -2.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9922 3.4318 -1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8173 1.3822 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7202 -0.4331 -2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3968 0.0115 -2.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8212 -0.4505 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9108 -1.8071 -1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4656 -1.2603 0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 0.4411 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2757 -2.0287 -1.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 -0.1460 -2.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 0.8589 -2.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1365 2.2637 -5.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7656 0.1711 -6.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 -1.3351 -5.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5275 -2.7271 -7.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 -1.2070 -8.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5636 -2.2391 -8.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5537 -0.3304 -8.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2066 0.1603 -6.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 0.3433 -8.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 -2.8169 -2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8831 -3.2248 -0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4101 -1.5579 -0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1925 -0.4227 -1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3136 -1.6341 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7858 -0.9718 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8484 0.5859 2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8069 1.3017 0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7998 1.6706 2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1695 -0.0783 1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8081 1.8794 -0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4632 0.2071 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0332 1.8784 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7415 2.7528 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2312 0.0365 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8605 1.7125 0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0002 1.9949 2.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0265 0.4860 2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9757 -0.9346 2.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7709 0.1509 4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5999 1.6580 3.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0339 -0.0159 3.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2006 -0.8517 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5287 0.5558 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4479 1.9863 1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7327 0.7538 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7986 -0.7430 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5955 0.8528 1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0286 -0.2480 3.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5089 1.5378 3.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8140 0.8157 3.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9979 0.2425 5.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0340 -1.7903 4.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4337 -1.9297 3.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8986 -1.3305 2.7353 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 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 26 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 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 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 0 25 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 31 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 36101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M END