HMDB0285125 RDKit 3D PE(18:1(9Z)-O(12,13)/DiMe(9,5)) 131132 0 0 0 0 0 0 0 0999 V2000 -1.0485 -9.3262 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0173 -9.1905 -1.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0719 -8.2688 -2.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1193 -6.8844 -1.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1319 -5.8603 -2.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2457 -6.1067 -1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7995 -5.7892 -0.6148 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0382 -6.1416 -0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9546 -5.9317 0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2312 -5.0741 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -4.7931 2.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2842 -3.9296 3.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9682 -2.6142 3.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1988 -1.6690 4.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9955 -0.4288 3.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2513 0.6827 4.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1226 0.3945 4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 -0.7774 4.3002 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 1.3167 4.9037 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3627 0.9489 5.2580 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4053 1.6160 4.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 1.3050 3.0421 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1935 1.8189 2.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 2.5615 2.5907 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1273 1.5250 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 0.9334 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7505 1.9549 0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 1.4260 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3849 2.5084 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6031 3.7749 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4927 3.5422 -1.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 4.8187 -2.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 5.4043 -3.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5134 4.8533 -3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8028 4.5984 -4.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0025 3.7282 -5.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 3.1670 -5.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 2.9761 -6.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9714 3.5485 -7.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 3.3545 -8.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 1.9088 -8.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4937 1.7623 -9.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5817 1.3989 6.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4332 2.7681 6.8267 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6643 3.2858 8.3988 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.8943 2.5608 8.9514 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 2.9058 9.3967 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0091 4.9358 8.4815 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 5.6459 7.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8093 7.1132 7.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2144 7.3710 7.5838 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -6.7341 -1.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7035 -7.2866 -2.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 -6.7141 -2.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 -7.2373 -3.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8264 -8.3289 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2059 -9.9957 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0025 -9.7412 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3318 -10.2248 -2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 -9.0837 -2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0861 -8.2453 -3.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0642 -8.7460 -2.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2509 -6.9545 -0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1637 -6.4745 -2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -4.8903 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1916 -5.5654 -3.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8308 -5.3953 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3081 -6.8856 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8649 -4.1820 1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 -5.6292 1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9484 -4.2374 2.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4152 -5.7227 3.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3694 -4.4255 4.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9927 -3.7709 4.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -2.0415 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -2.6749 2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -1.4547 5.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 -2.1582 4.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5768 -0.6196 2.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -0.0377 3.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3977 1.5820 3.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 0.9531 4.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5302 -0.1449 5.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3897 1.2453 4.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4151 2.7187 4.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3039 2.4371 0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9772 0.8366 0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8501 0.7295 -0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6156 0.0458 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7528 2.2880 1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 2.8108 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1248 0.5556 0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3023 1.2127 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5781 2.7908 1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 2.1778 0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 4.4650 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5376 4.2587 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3663 2.9544 -2.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 2.8991 -2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6749 5.3377 -2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0631 6.3621 -3.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8104 3.9826 -2.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 5.6695 -3.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 5.3621 -5.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1443 2.4114 -4.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 3.3718 -5.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4504 1.8776 -6.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8237 4.6489 -7.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 3.0745 -7.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9698 3.8729 -8.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 3.8646 -9.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4764 1.4056 -9.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6612 1.3804 -7.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3266 2.4236 -10.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4476 2.0732 -9.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5275 0.7098 -10.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6271 1.1597 6.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 0.8912 7.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 3.3090 9.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8818 5.3392 6.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 5.5434 7.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3669 7.4915 8.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3393 7.7246 6.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5232 7.8700 6.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8063 6.5167 7.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 -7.9190 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -7.8477 -3.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3874 -6.4282 -2.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5267 -6.4372 -4.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1056 -7.4757 -4.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7814 -8.1349 -4.0869 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 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 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 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 2 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 20 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 8 52 2 0 52 53 1 0 52 54 1 0 54 55 1 0 54 6 2 0 37 35 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 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 20 83 1 1 21 84 1 0 21 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 37105 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 42116 1 0 43117 1 0 43118 1 0 47119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 53126 1 0 53127 1 0 53128 1 0 55129 1 0 55130 1 0 55131 1 0 M END