HMDB0114192 RDKit 3D PE-NMe2(20:0/18:4(6Z,9Z,12Z,15Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -0.7884 8.2368 7.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 8.8183 6.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6278 8.9894 4.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4135 8.4280 3.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7181 7.4976 3.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1985 6.1659 3.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3681 5.0272 3.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 4.9115 4.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 4.1299 5.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9811 3.4535 4.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 3.2324 2.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0312 3.7147 2.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 4.6161 1.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9217 5.3084 0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 5.0486 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 3.5822 -1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7393 3.1698 -2.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 1.7077 -2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 1.1137 -1.4868 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6848 0.8858 -3.6873 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -0.5349 -3.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -1.1502 -3.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9328 -2.5094 -3.6578 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 -3.5767 -4.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8474 -3.3997 -5.4014 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7251 -4.9907 -3.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 -5.4476 -3.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 -4.4788 -2.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2603 -4.4638 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 -3.4347 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -3.6208 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6195 -4.9104 1.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3278 -5.0820 2.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1316 -4.0230 3.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1206 -4.1490 4.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3982 -4.1129 3.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7163 -2.9056 2.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7596 -1.6301 3.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 -0.4443 2.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5044 -0.6213 1.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7441 0.5901 1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0104 0.5890 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2445 0.5238 1.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4773 -0.7038 1.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4066 -0.8660 -4.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7394 -0.5880 -5.8514 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 -0.9830 -6.8856 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5793 -0.1814 -8.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 -2.6356 -7.2001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9939 -0.5565 -6.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -1.6570 -6.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1316 -1.2379 -5.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1091 -2.2946 -5.4612 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2795 -1.7826 -4.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 -3.4310 -4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8376 8.4791 6.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6219 7.1357 7.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 8.6180 8.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0585 8.2138 6.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 9.8202 6.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 9.6764 4.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 8.6409 2.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 7.9199 2.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 7.4135 4.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 6.1452 2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 4.1533 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3279 4.4274 5.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2148 5.9215 5.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 4.1161 6.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8941 2.9207 4.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 3.6531 2.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 2.0981 2.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9694 3.2401 2.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0683 4.9503 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1044 6.3996 0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9565 5.0995 1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7502 5.5174 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 5.5611 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 3.0787 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 3.2209 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9357 3.7180 -3.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 3.4808 -3.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -0.7034 -2.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1001 -0.8894 -4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6115 -0.6348 -3.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6165 -5.1265 -3.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 -5.6330 -4.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6141 -5.4567 -3.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6336 -6.4338 -2.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 -4.7926 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -3.4498 -2.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -4.3677 -1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 -5.4692 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9412 -2.4149 -0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8746 -3.4640 0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9109 -3.6130 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5283 -2.7364 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8066 -5.7625 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 -4.9656 2.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 -5.0905 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3645 -6.1019 2.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -3.0280 2.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 -4.0564 4.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0563 -5.1673 4.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0439 -3.4414 4.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4391 -5.0043 2.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2191 -4.2758 4.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0822 -2.7741 1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 -3.0761 2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5206 -1.6362 4.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 -1.3648 3.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0765 0.4876 3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 -0.3224 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1864 -0.6949 2.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5664 -1.5123 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8642 0.7845 0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7283 1.5336 1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0551 1.4339 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 -0.3434 -0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3226 1.3913 1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1164 0.7467 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4479 -0.5679 2.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 -1.0186 1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9291 -1.6053 1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 -0.1909 -4.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0022 -1.8711 -4.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 -2.8995 -7.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0527 -1.9936 -7.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4225 -2.5332 -5.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9651 -0.8395 -4.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5693 -0.4024 -6.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9033 -1.1128 -3.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8516 -1.1782 -5.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9014 -2.5596 -4.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4409 -3.9845 -4.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 -3.1132 -3.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0649 -4.1507 -5.4079 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 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 2 0 24 26 1 0 26 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 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 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 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 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 49127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 54132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M END