HMDB0050001 RDKit 3D TG(18:1(9Z)/18:2(9Z,12Z)/18:1(9Z)) 165164 0 0 0 0 0 0 0 0999 V2000 0.2697 0.2631 3.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8993 0.7695 4.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9842 1.1536 3.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 2.2807 2.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 2.4473 1.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6722 3.5429 0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 3.4756 -0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7888 2.2426 -1.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8547 2.1035 -2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7653 1.1698 -2.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 0.1644 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5571 -1.2747 -1.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7384 -2.1810 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4736 -3.6056 -0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0168 -3.8919 -0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1524 -3.4984 0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -3.8404 0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0265 -3.1956 -1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8572 -3.8903 -1.6677 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 -1.9136 -1.4997 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -1.3555 -2.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2398 -1.2130 -3.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5234 -0.7086 -4.9388 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -1.2149 -5.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 -2.1895 -4.7308 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5356 -0.7409 -6.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -1.1656 -6.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 -0.4638 -5.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8168 -0.8075 -4.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 -2.2500 -4.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3635 -2.3243 -3.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6344 -3.7238 -2.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4861 -4.0534 -1.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 -5.1265 -2.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9811 -6.1164 -3.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -6.3633 -4.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6414 -6.7906 -3.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -7.0450 -4.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4649 -7.4621 -4.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -6.4043 -4.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7819 -6.9519 -4.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6938 -5.9509 -3.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 -0.3580 -2.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4798 0.5658 -1.3715 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 1.4965 -0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 2.1814 -0.5087 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4299 1.8092 0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 3.0232 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3288 4.3018 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0616 4.6888 1.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3229 6.0068 1.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2459 6.3576 3.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 5.4084 3.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 5.7974 5.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2181 6.1979 6.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 6.4396 6.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 6.2553 4.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8994 6.6832 5.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9438 6.6279 4.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1571 5.2275 3.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3222 5.2326 2.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5106 3.8312 2.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7341 2.8483 3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1985 -0.4005 2.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7011 1.1393 3.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 -0.2456 4.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 1.6840 5.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1831 0.0065 5.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 1.5191 4.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3015 0.2695 3.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4562 3.2059 3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7248 2.0873 2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0505 1.4696 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6591 2.6860 2.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5402 4.5785 1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5023 4.4220 -1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 1.3680 -0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8268 2.2296 -1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8961 2.8370 -3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5562 1.1114 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9121 0.1217 -0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2889 0.3651 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5111 -1.3383 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2105 -1.5461 -2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -2.0446 -0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1294 -1.7152 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7344 -4.1916 0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0347 -4.0354 -1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6543 -3.4359 -1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9081 -5.0133 -0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2777 -2.4364 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -4.0911 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -3.7043 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 -4.9691 -0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2235 -2.2890 -2.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1695 -0.6031 -3.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6223 -2.2070 -4.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 -1.2494 -7.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4836 0.3451 -6.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5879 -0.8172 -7.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0196 -2.2502 -6.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7787 -0.6175 -4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 0.6386 -5.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5669 -0.5924 -5.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 -0.1568 -3.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1759 -2.5973 -3.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 -2.8823 -4.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4532 -1.6004 -2.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1044 -2.1678 -4.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5103 -3.5995 -2.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8639 -4.4190 -3.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2858 -3.3310 -1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9201 -5.2028 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0357 -6.1262 -3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0031 -7.1294 -2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4225 -7.2117 -4.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -5.5318 -4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 -7.7503 -3.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1231 -6.0357 -3.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4134 -7.8126 -5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9116 -6.1134 -5.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0338 -7.7017 -5.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -8.4252 -4.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0174 -6.2856 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -5.4473 -4.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 -7.1688 -5.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 -7.8989 -3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5897 -6.4940 -3.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1574 -5.4497 -2.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9954 -5.2139 -4.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 0.0933 -3.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5736 -0.9055 -2.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1473 1.0265 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 2.0758 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0574 3.2540 0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5185 2.8751 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 5.0821 -0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4177 4.2247 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4564 3.9037 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0605 4.7379 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 5.8890 1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 6.7886 1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 6.3018 3.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9408 7.4171 3.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9419 4.3892 3.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5727 5.4223 3.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 5.7088 5.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2551 6.4206 7.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1383 5.8093 6.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8678 7.4926 6.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6281 5.1897 4.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 6.9347 4.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1163 6.1176 6.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7364 7.7691 5.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7726 7.3108 3.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9589 6.9347 4.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2182 4.9470 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2811 4.5265 4.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1983 5.5951 3.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0678 5.9396 2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4343 3.8545 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6413 3.5204 1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8102 2.2402 3.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0321 3.3397 4.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5206 2.1267 3.1645 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 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 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 2 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 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 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 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 0 22 96 1 0 22 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 63165 1 0 M END