HMDB0101693 RDKit 3D TG(a-15:0/15:0/8:0)[rac] 125124 0 0 0 0 0 0 0 0999 V2000 -5.0116 2.7263 -4.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3529 3.1914 -2.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4188 3.2195 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0283 1.8703 -1.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9808 0.9079 -1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5878 -0.4761 -0.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4864 -1.4008 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0362 -2.7808 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1162 -2.7271 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7347 -2.1768 2.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6357 -2.9715 2.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 -2.2642 4.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4645 -2.7975 5.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0463 -2.9760 4.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2818 -1.7822 4.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8013 -0.7469 4.0498 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0757 -1.8271 4.6577 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9296 -0.7557 4.3154 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9856 -1.3473 3.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9922 -0.4571 3.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0408 -0.9125 2.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 -2.1318 1.9029 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 -0.0817 1.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.8969 0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2584 -0.0532 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2001 -0.7296 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0163 -1.8482 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4366 -3.1050 0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4831 -3.8232 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6161 -0.1912 5.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3836 0.9314 5.1672 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8319 2.1011 4.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 2.1759 4.4825 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7018 3.2678 4.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0396 3.1281 2.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8273 3.1268 1.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3468 2.9223 0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 2.8945 -0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2804 1.8223 -0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 1.7165 -1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 1.3365 -2.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6716 0.0267 -2.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3777 -0.5853 -3.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4945 0.1700 -4.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 1.4801 -5.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 -0.6920 -5.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3852 0.1353 -5.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9077 1.6275 -4.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0759 3.0501 -4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4807 3.1829 -5.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9619 4.2427 -3.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5072 2.5664 -2.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2135 3.9823 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8984 3.5254 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4604 1.4785 -2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8237 1.9255 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5301 1.3009 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1757 0.8221 -1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 -0.8222 -1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4248 -0.4043 -0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9534 -0.9296 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7866 -1.5326 -1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -3.4042 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4773 -3.1809 -1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4436 -3.7945 1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0223 -2.2332 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6181 -2.2601 2.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4748 -1.0923 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9882 -4.0108 3.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7974 -2.9872 2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2289 -1.1613 4.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 -2.2293 4.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5016 -2.0896 6.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8767 -3.7507 5.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5437 -3.3550 5.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8165 -3.7682 4.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 0.0274 3.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4314 -2.2283 3.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 -1.8127 2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 0.1324 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9052 0.8162 1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 -1.2661 0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 -1.7795 1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9183 0.9145 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8425 0.3259 1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5511 -1.0619 -1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 0.0405 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7087 -1.4753 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8214 -2.0941 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1601 -3.0301 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 -3.8312 0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4673 -3.3605 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4329 -3.7872 -0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7626 -4.8943 -0.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3031 -0.9404 5.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8593 0.1818 6.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 4.1772 4.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 3.2899 4.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6352 2.1993 2.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6815 3.9695 2.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3143 4.1055 1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0907 2.3519 2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9706 1.9870 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0327 3.7948 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 2.7263 -1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 3.8729 -0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 2.1491 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 0.8423 -0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2335 2.6790 -1.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 0.9336 -1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 2.1690 -3.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 1.2284 -3.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0366 -0.7421 -2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 0.1203 -1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 -0.9127 -4.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8341 -1.5693 -3.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2748 0.3358 -3.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7556 1.5546 -6.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 2.3077 -4.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1198 1.6481 -5.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6655 -1.6259 -4.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 -0.9334 -6.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6138 1.0460 -5.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3495 -0.4420 -6.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1312 0.4852 -7.0254 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 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 18 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 44 46 1 0 46 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 18 77 1 6 19 78 1 0 19 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 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 45118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 47125 1 0 M END