HMDB0283769 RDKit 3D PE(18:1(12Z)-2OH(9,10)/22:0) 145144 0 0 0 0 0 0 0 0999 V2000 -2.7854 -4.0371 -4.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7847 -5.2308 -3.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6366 -5.3999 -2.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -4.3317 -1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6043 -4.1448 -0.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2348 -3.0840 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 -3.2195 1.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4727 -4.5145 2.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 -4.4394 3.0184 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4140 -3.5919 4.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9561 -4.2493 2.4028 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1809 -5.0922 1.3087 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3952 -2.8661 2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5113 -1.9232 3.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0036 -0.5343 2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 0.1393 1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 1.5248 1.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6219 2.1059 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9659 3.5091 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9034 3.9594 -0.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8121 4.3296 -0.4803 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1075 3.9699 -2.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2164 4.3417 -3.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9759 3.5084 -3.4013 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3943 2.0657 -3.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2832 1.2879 -3.9704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 -0.2739 -4.3380 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1891 -1.0242 -3.0809 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 -0.0652 -5.2267 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -1.1044 -5.3098 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4532 -0.3692 -6.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5225 -1.0537 -7.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 -2.3516 -7.8226 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1892 3.5141 -2.2584 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 3.8233 -2.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6671 4.0982 -3.3809 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 3.8190 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 3.9168 -1.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8995 2.7665 -2.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6684 1.4827 -1.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1467 0.3276 -2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9766 -1.0101 -1.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -1.1876 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2281 -1.0151 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9918 -1.2291 0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4578 -1.0634 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9529 0.2318 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9073 1.4369 0.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6028 1.8934 1.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8209 3.2294 2.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6973 3.8387 2.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 3.2484 4.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 1.9350 4.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 1.8531 3.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6006 0.4542 3.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 0.3122 2.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8163 -1.0933 2.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7777 -3.6508 -4.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2654 -4.3238 -5.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4062 -3.1980 -4.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8046 -6.1474 -4.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7371 -5.3238 -3.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7018 -5.5448 -3.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -6.3591 -2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0045 -3.3860 -2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 -4.7247 -1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4922 -3.8329 -1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8436 -5.1167 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9857 -2.0707 -0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8792 -2.3427 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5679 -4.7382 2.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6744 -5.3528 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6408 -5.4863 3.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5775 -3.0655 4.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7076 -4.6286 3.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9641 -6.0030 1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4333 -2.9614 1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8124 -2.4289 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6138 -1.7421 3.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2904 -2.2944 3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0125 0.0712 3.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0317 -0.6649 2.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1287 -0.4489 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0627 0.2004 2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5686 1.3842 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7991 2.1658 2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 2.0897 0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 1.4784 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 4.2080 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9271 3.6110 -0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 4.3054 -4.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9336 5.4060 -3.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3749 3.8176 -4.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0258 1.6229 -2.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9819 2.1416 -4.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4271 -0.8874 -5.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3909 -0.1844 -6.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 0.6118 -6.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5217 -1.1504 -6.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6796 -0.4682 -8.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 -2.8623 -8.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 -2.2201 -8.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 2.9574 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 4.7140 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 4.0592 -0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5485 4.8473 -2.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 2.6689 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9884 2.9268 -2.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5581 1.3864 -1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 1.5258 -0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5359 0.3389 -3.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1959 0.4558 -2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3235 -1.7707 -2.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8902 -1.2132 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3567 -0.5580 0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5879 -2.2476 -0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5299 -1.7769 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -0.0413 -1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8538 -2.3382 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5091 -0.7233 1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9200 -1.2346 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 -1.9303 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5557 0.4953 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 0.0579 -0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2196 2.3213 0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7123 1.4149 1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4308 1.1699 2.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8017 1.9904 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7359 3.1338 2.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1700 3.9145 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 4.9119 3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8415 3.9454 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 3.2516 4.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4275 4.0119 4.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9897 1.8681 5.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0368 1.0349 3.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 2.0646 2.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4256 2.5668 3.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3162 -0.3181 2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3713 0.2739 4.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5891 1.0522 2.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 0.4891 1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -1.6093 3.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8626 -1.6308 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2383 -1.0156 3.0685 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 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 24 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 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 1 10 74 1 0 11 75 1 1 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 6 25 94 1 0 25 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 57145 1 0 M END