HMDB0113707 RDKit 3D PE-NMe(24:0/18:1(11Z)) 152151 0 0 0 0 0 0 0 0999 V2000 1.3524 -5.9093 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 -6.0190 2.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -4.6759 2.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1276 -4.7348 4.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4978 -3.3177 4.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0771 -3.2049 5.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0722 -3.6754 6.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4112 -2.9364 7.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0702 -1.5662 8.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -0.5425 8.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 -0.2277 6.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 -1.3663 6.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6204 -0.9798 5.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 0.0423 5.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5788 0.4296 4.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 1.0500 3.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2247 2.3453 3.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6774 2.9235 2.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 4.1598 2.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3526 2.1254 1.2794 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8619 2.6937 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 2.2145 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5177 2.5766 0.7359 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8016 2.2208 0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 1.5995 -0.5105 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 2.5940 1.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 3.9955 1.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9676 3.9955 -0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3662 5.3823 -0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0794 5.6585 -1.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 5.2317 -3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 3.7705 -3.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8914 3.1969 -3.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 1.6926 -3.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1083 1.0688 -3.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0106 -0.3992 -4.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3946 -1.1555 -2.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3299 -2.6028 -3.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9593 -3.5859 -2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -3.5390 -1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5556 -2.3869 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -2.4073 0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 -2.1978 -0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -3.0510 -1.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9554 -2.5437 -1.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 -3.2969 -2.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 -3.2196 -4.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 -4.0170 -5.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8228 2.2848 -1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 2.7525 -2.2602 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6612 2.2555 -3.4069 P 0 0 0 0 0 5 0 0 0 0 0 0 4.6488 0.7501 -3.5126 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1771 2.8050 -2.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 2.9474 -4.9088 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 1.9887 -5.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0347 2.6278 -7.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 3.3779 -7.2693 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5605 3.9920 -8.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0771 -4.8990 0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 -6.6958 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -5.9441 0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6724 -6.3781 2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 -6.7099 2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -3.9508 2.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4113 -4.2469 2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9084 -5.4747 4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7439 -5.0628 4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 -2.7114 4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1763 -2.8694 3.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 -3.9205 5.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -2.1870 5.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2804 -4.7057 6.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -3.4153 8.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8645 -1.1937 7.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -1.6106 9.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8398 -0.8520 8.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6894 0.4022 8.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 0.3507 6.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 0.5354 7.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -2.2402 6.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -1.7619 7.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9907 -0.6454 4.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1575 -1.8955 4.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2153 0.9882 6.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2852 -0.3469 6.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3663 1.1489 4.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1743 -0.4727 4.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2718 0.4013 2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7993 1.2789 2.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 2.2007 4.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9551 3.0730 4.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8332 3.8155 0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1373 2.6325 -1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5227 1.0978 -0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3287 2.6701 2.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6542 1.8570 1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0913 4.3687 1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 4.6860 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0879 3.6665 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8009 3.2998 -0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 6.0921 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 5.7164 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 6.8002 -1.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1566 5.3363 -1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4592 5.5990 -3.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0299 5.7188 -3.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1216 3.6854 -4.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8494 3.1284 -2.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4343 3.3061 -2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4515 3.6589 -4.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0893 1.4791 -4.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2879 1.2937 -2.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7496 1.3191 -2.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5606 1.5227 -4.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0267 -0.8561 -4.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4245 -0.6297 -4.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3527 -0.7047 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8957 -0.9286 -1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6813 -2.7777 -4.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3547 -2.9120 -3.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9892 -4.6541 -2.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7846 -3.6526 -1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8393 -3.6876 -2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6197 -4.4631 -0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6408 -1.3880 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4425 -2.4413 0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2723 -3.4384 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 -1.7339 1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2221 -2.1331 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9701 -1.1269 -0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 -2.8114 -2.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 -4.1148 -1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8444 -1.4874 -2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 -2.6646 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -4.3738 -2.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -2.8175 -2.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 -2.1755 -4.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0735 -3.6228 -4.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 -3.3313 -5.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 -4.8246 -4.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1536 -4.4106 -5.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8614 2.5571 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8262 1.1571 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2153 3.7916 -2.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4353 1.3341 -5.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2359 1.4369 -5.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9228 1.7890 -7.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8734 3.2684 -7.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8357 4.1544 -6.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0512 4.9697 -8.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4532 4.2268 -8.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 3.3379 -9.4069 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 2 0 8 9 1 0 9 10 1 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 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 21 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 21 92 1 0 22 93 1 0 22 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 53144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 58150 1 0 58151 1 0 58152 1 0 M END