HMDB0114100 RDKit 3D PE-NMe2(18:3(6Z,9Z,12Z)/18:1(11Z)) 131130 0 0 0 0 0 0 0 0999 V2000 -9.5839 -2.6722 -1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1472 -1.2180 -1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7007 -1.2533 -0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0685 0.0842 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7699 0.8055 0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1995 2.1032 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8495 3.2502 0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2378 3.3628 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6422 4.1641 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9561 4.8673 -1.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5068 5.1138 -1.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1142 4.7231 -3.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2096 3.8364 -3.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4337 3.0820 -2.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 3.3633 -2.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2716 2.4847 -1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7626 2.6252 -1.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2631 1.6947 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 0.5155 -0.9153 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 1.9800 0.7962 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5598 1.1593 1.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 0.6070 1.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 1.7430 1.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1189 1.2775 1.7223 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 2.5427 1.8102 P 0 0 0 0 0 5 0 0 0 0 0 0 4.6906 2.7213 3.2492 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5342 4.0094 1.3253 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 2.2191 0.8082 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1529 2.3721 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2627 2.1156 -1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6916 2.3082 -2.8244 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3649 3.7112 -3.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4548 1.5623 -2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 -0.1731 0.4851 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3217 -1.5207 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4661 -2.1426 1.6002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5023 -2.2677 -0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 -3.0368 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 -3.7795 -2.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 -4.8901 -2.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -4.6524 -2.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 -3.5713 -3.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2378 -3.3262 -4.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 -3.0218 -3.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7985 -4.0669 -2.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9633 -3.5127 -1.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9735 -3.4441 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9618 -3.8477 0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 -2.6194 1.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5371 -3.0453 2.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1122 -1.8872 3.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 -1.2910 4.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7596 -0.1380 5.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8662 -3.1245 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4679 -2.7499 -2.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7605 -3.2353 -2.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8190 -0.7972 -0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2922 -0.6432 -2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1684 -1.8146 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5813 -1.8939 -0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0171 -0.0722 -0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0781 0.7220 -1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8380 0.7514 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6044 0.1541 1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1363 2.1916 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3113 4.1900 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7442 2.3639 0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7898 3.7478 1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7807 4.1464 -1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6030 5.3883 -2.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3696 6.2464 -1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8733 4.6168 -1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6553 5.2467 -4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0289 3.6518 -4.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4927 1.9905 -2.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7338 3.0816 -1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7239 4.4310 -2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6461 2.9767 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 1.4398 -1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6853 2.7852 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4595 3.6668 -1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3341 2.3987 -2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5255 1.7793 2.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2171 0.3020 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0081 -0.0403 2.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6478 2.2139 2.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 2.4659 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5677 4.6970 2.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8529 3.4279 -0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2974 1.6661 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0169 2.9319 -1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7222 1.1267 -1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6337 4.0638 -4.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9146 4.3745 -2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 3.9236 -2.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5868 2.1614 -2.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2805 1.3670 -4.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4738 0.5859 -2.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6873 -1.4943 -1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4095 -2.8670 -0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 -2.4137 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1349 -3.8171 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 -4.0629 -2.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 -2.9720 -3.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9552 -5.6979 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6936 -5.4305 -3.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 -5.6194 -3.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9329 -4.5763 -1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3759 -2.5868 -3.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 -3.7661 -4.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2282 -2.4677 -4.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6137 -4.1921 -4.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2288 -2.7286 -3.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1364 -2.0806 -2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -4.9459 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 -4.4075 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8229 -3.1623 -2.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9052 -3.0061 0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 -4.5999 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0464 -4.2848 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1078 -1.9022 0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4392 -2.1788 2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7367 -3.5504 2.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0177 -3.8061 3.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3743 -2.2600 4.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 -1.1035 2.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7793 -2.0544 4.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0038 -0.8280 3.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4353 -0.5258 6.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9313 0.3891 4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6034 0.5616 5.2850 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 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 37 1 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 45 46 1 0 46 47 2 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 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 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 23 86 1 0 23 87 1 0 27 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 32 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 33 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 M END