HMDB0113313 RDKit 3D PE-NMe(20:1(11Z)/18:0) 140139 0 0 0 0 0 0 0 0999 V2000 4.7031 -3.2389 0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -2.3210 1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -0.8643 0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4419 -0.7531 -0.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4893 0.6575 -1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6811 1.5584 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6779 3.0156 -0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8113 3.7976 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 5.2208 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 5.8273 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 5.0645 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6444 5.5805 0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 4.9864 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0978 4.7861 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2919 3.9061 -0.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4872 4.1231 -2.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9315 3.1751 -3.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0907 3.5233 -4.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6249 3.3805 -4.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1723 1.9723 -4.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0769 1.7469 -4.1938 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 0.9628 -3.6499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -0.3612 -3.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4445 -1.2682 -4.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 -0.7887 -5.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 -0.7806 -5.5728 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3308 -0.1875 -7.0502 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4303 0.8981 -7.5915 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 -1.4581 -8.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 0.4506 -6.8548 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6567 -0.5182 -6.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0754 -0.0322 -6.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7908 -1.1218 -5.3438 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1717 -0.7750 -5.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0864 -2.5947 -4.2056 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 -3.6653 -4.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0812 -3.4308 -4.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5874 -5.0676 -4.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9338 -5.5562 -2.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2436 -4.8223 -1.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6397 -5.4702 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9648 -4.8158 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3894 -5.5852 2.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7318 -5.0290 3.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1185 -3.5739 3.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 -3.0705 4.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7665 -1.7429 5.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6001 -0.4972 4.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 -0.2473 3.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 1.1400 2.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 2.2307 3.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9006 2.1879 4.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2101 3.3084 5.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 3.2986 5.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6761 -2.7315 0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1524 -3.4300 -0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8668 -4.2051 0.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 -2.6657 1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4087 -2.3228 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3944 -0.2791 1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0445 -0.5671 0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0059 -1.4403 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3764 -1.0693 -0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 0.6714 -2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5533 0.9765 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0247 1.5562 0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6213 1.2164 -0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 3.4255 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 3.0262 -1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 3.7295 1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8888 3.2525 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 5.8030 -0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5273 6.8869 -0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1634 5.4177 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 4.0035 -0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9904 5.6733 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8296 6.7085 0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7391 3.9285 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 5.5371 1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 5.8413 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 4.4751 0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4029 3.7982 -1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0811 2.8344 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4569 3.6973 -1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3788 5.1244 -2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 3.4508 -3.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8868 2.1312 -3.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 4.5995 -4.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4126 2.9443 -5.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 3.6845 -5.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1948 4.0042 -3.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -0.7496 -2.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7941 -0.4148 -2.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5227 -1.4081 -4.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0048 0.2220 -6.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9128 -1.4538 -6.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7964 -2.2346 -7.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 -1.4146 -6.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 -0.7481 -5.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1193 0.8950 -5.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5496 0.0877 -6.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.0073 -5.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7493 -1.7289 -5.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5617 -0.0125 -5.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1854 -0.3926 -4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4687 -5.2283 -4.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -5.7532 -4.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0404 -5.5783 -2.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5924 -6.6286 -2.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1525 -4.8664 -1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5979 -3.7820 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7396 -5.3400 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4191 -6.5488 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 -3.7632 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 -4.8117 0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1589 -6.6582 1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -5.5548 2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1222 -5.6258 4.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3494 -5.1482 3.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2031 -3.4343 3.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 -3.0296 2.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7368 -3.8017 5.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 -3.2703 4.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 -1.5530 6.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -1.7852 5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7201 0.3462 5.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5227 -0.4095 4.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 -0.9201 2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4169 -0.3875 3.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7019 1.2461 1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 1.2619 2.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 3.1964 3.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 2.2586 4.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2361 1.2181 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 2.4158 3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 3.1425 6.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9802 4.2981 4.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 3.2771 6.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2211 2.4271 5.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2211 4.1989 5.1582 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 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 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 24 35 1 0 35 36 1 0 36 37 2 0 36 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 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 25 95 1 0 25 96 1 0 29 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 34103 1 0 34104 1 0 34105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 54140 1 0 M END