HMDB0114095 RDKit 3D PE-NMe2(18:3(6Z,9Z,12Z)/14:1(9Z)) 119118 0 0 0 0 0 0 0 0999 V2000 6.8327 8.5053 -4.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0104 7.7959 -3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 8.3965 -2.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4202 7.5852 -0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6379 8.0746 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 7.3400 0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5209 5.9417 0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8445 5.0733 1.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5998 3.5834 1.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4311 3.0226 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 1.5955 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1151 1.0154 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8454 1.1723 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7264 0.3965 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 -0.3072 -1.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4345 0.4726 -0.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -0.2407 -0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4553 -1.0862 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3881 -1.6975 -0.7898 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3894 -2.5994 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4585 -2.8885 0.7958 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2959 -3.1648 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8338 -4.5003 -1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9161 -5.6235 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9269 -5.7464 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1429 -7.0011 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 -8.0779 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7751 -8.5600 1.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 -9.0798 2.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5127 -8.8901 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 -8.0910 4.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -7.1785 5.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4537 -5.9142 5.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 -5.0429 5.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -3.8387 4.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 -2.9141 4.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5952 -1.6493 3.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7769 -0.7864 3.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 0.8013 -1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4831 0.1985 -2.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3943 1.3912 -2.9854 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.7096 0.7517 -3.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6807 2.7420 -2.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5937 1.7787 -4.4477 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4824 0.5486 -5.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7712 0.7280 -6.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6782 -0.5526 -7.1211 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9874 -1.0127 -7.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1272 -1.5294 -6.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8716 9.0084 -4.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6563 9.2631 -4.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 7.7639 -5.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6508 6.7395 -3.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0639 7.7674 -3.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0702 8.3218 -2.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4446 9.4375 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4969 7.8856 -0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4784 6.5229 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8005 9.1341 0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1873 7.7182 1.6449 H 0 0 0 0 0 0 0 0 0 0 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14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 17 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 41 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 43109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 48114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 49119 1 0 M END