HMDB0114125 RDKit 3D PE-NMe2(18:3(9Z,12Z,15Z)/15:0) 124123 0 0 0 0 0 0 0 0999 V2000 2.7636 -5.6962 -1.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5112 -4.6675 -2.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6283 -3.4207 -2.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1315 -2.2884 -2.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3853 -2.0990 -3.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0803 -1.0678 -4.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 0.0572 -4.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1108 0.3773 -4.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2841 0.5512 -5.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3847 1.6579 -5.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 2.8464 -5.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9398 3.0514 -4.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5142 1.8918 -4.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8923 1.6772 -2.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5296 0.4503 -2.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 0.1999 -0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 1.3453 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5229 1.0757 1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8133 1.8740 2.4719 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6634 -0.0110 1.7559 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 -0.1315 3.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 -1.2936 3.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.6176 3.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 -2.7374 1.7193 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1674 -4.2107 1.5303 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2834 -4.8885 2.8689 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 -5.2497 0.5003 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7337 -3.9780 0.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1103 -5.0506 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5218 -4.7218 -0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4233 -3.4901 -1.1068 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6949 -3.6634 -2.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7005 -2.8397 -1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8897 -1.1574 2.4209 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1672 -1.0345 2.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2246 -1.0546 4.2482 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3728 -0.8933 2.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7245 0.3139 1.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9862 1.6269 2.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 2.5385 2.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 2.1641 3.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 3.3978 4.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9893 2.9500 5.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1773 4.0398 6.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0756 4.4350 5.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7983 5.5310 6.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 5.8807 5.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7782 4.7410 4.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8023 5.2450 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0564 5.7288 2.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7439 -5.3551 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 -6.6876 -2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7018 -5.7752 -2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9928 -4.5869 -3.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5522 -5.0864 -3.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1719 -3.4064 -1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2635 -1.3837 -1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 -3.0346 -4.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3303 -1.9243 -3.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1107 -1.3075 -4.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 0.7586 -5.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6563 -0.3615 -3.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1293 1.3285 -3.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2599 -0.2847 -6.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 1.6926 -6.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 3.7273 -5.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 2.8746 -4.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4684 3.2360 -5.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0652 3.9698 -4.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6198 2.0645 -3.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 0.9364 -4.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1485 2.5824 -2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 1.5181 -2.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6143 0.5783 -1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3156 -0.4178 -2.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8417 0.0283 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3977 -0.7059 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6734 2.2751 -0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2117 1.5407 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0486 -0.2360 3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3327 0.8072 3.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0985 -1.2869 4.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 -2.6021 3.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7323 -3.4151 3.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 -5.9932 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0705 -6.0235 0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4272 -5.0435 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1434 -4.5582 0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9227 -5.5248 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7478 -4.7450 -2.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1682 -3.0576 -3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 -3.3527 -2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2294 -3.2125 -2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2901 -2.9833 -0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5128 -1.7397 -1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 -1.1056 2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4351 -1.8258 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8752 0.4524 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 0.0309 0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 2.2165 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 1.5203 2.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 3.5274 2.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2755 2.8331 1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 1.4406 3.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0336 1.7784 4.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9293 3.6351 3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2975 4.2509 4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8122 2.5895 6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3177 2.0852 5.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8332 4.9395 6.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 3.7195 7.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5827 4.8475 4.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 3.5288 5.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 5.1173 6.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 6.4346 6.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 6.3299 4.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 6.6856 5.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 3.8812 4.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2632 4.4016 5.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4268 4.3882 3.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3785 6.1025 4.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 6.7573 2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 5.0690 2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7734 5.6482 1.6317 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 1 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 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 27 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 32 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 33 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 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 50124 1 0 M END