HMDB0042290 RDKit 3D TG(14:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 145144 0 0 0 0 0 0 0 0999 V2000 4.6822 -4.6702 7.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 -4.1472 6.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -3.0957 5.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5063 -3.6646 5.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 -2.5966 4.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 -2.1194 4.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8224 -2.6153 5.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 -1.6480 6.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5063 -0.5915 6.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2076 0.4024 5.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 1.2165 5.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 2.2429 4.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 1.6823 3.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6253 2.7354 2.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0665 2.5219 0.9748 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 3.9420 2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 4.8582 1.1323 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6268 5.3370 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 4.5167 0.0933 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 3.6326 -1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2618 3.5918 -1.4525 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5646 2.8940 -1.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5834 1.7467 -2.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8465 1.6499 -3.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 2.8829 -4.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5974 3.2499 -4.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3891 2.4681 -4.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3608 3.0328 -3.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8078 2.3164 -2.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1805 0.9187 -2.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 0.5730 -1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3273 -0.2716 -0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0528 -1.0456 -0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4407 -2.4694 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -3.2864 -1.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4337 -2.9017 -2.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5414 -3.1404 -4.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0557 -2.7294 -5.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9464 -2.9527 -6.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3751 -2.5510 -7.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 6.0917 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0941 5.8264 1.4963 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7273 5.2190 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2476 4.8465 -0.5299 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 5.0163 0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 4.2578 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2715 3.9700 -0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6241 3.1584 -1.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0535 2.7985 -1.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 2.0854 -2.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2729 0.7298 -2.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 0.5421 -3.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5761 -0.8436 -3.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4285 -1.8953 -2.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5038 -2.2459 -1.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -3.4912 -1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7475 -4.6227 -2.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3626 -5.2253 8.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9552 -5.4277 7.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -3.8499 8.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8367 -4.9858 5.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4218 -3.6565 6.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5161 -2.2275 6.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 -2.8141 4.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9487 -4.1270 5.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8096 -4.4806 4.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4277 -2.1467 3.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 -1.3272 3.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1629 -2.9859 5.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2189 -3.5277 6.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0085 -2.2635 7.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3445 -1.1664 7.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -1.0440 6.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -0.0002 7.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2901 -0.0053 4.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 1.1225 5.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8775 1.7695 6.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 0.5516 5.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 2.8896 4.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3712 2.9159 4.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3495 0.9859 3.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5279 1.1153 2.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8109 4.3627 0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1481 5.7736 1.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 6.3164 0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2294 2.5989 -0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3169 3.7151 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6957 1.4832 -2.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3270 0.8260 -1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4549 0.9419 -4.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9392 1.0838 -3.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6221 3.5046 -4.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5142 4.2203 -5.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 2.5735 -5.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 1.3764 -4.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 4.0737 -4.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 2.8091 -2.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 0.3839 -2.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 0.3892 -3.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7683 1.0403 -1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -0.4106 0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -0.8652 0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5902 -0.7922 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -2.8423 0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -4.3462 -1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -1.8807 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -3.6483 -3.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7536 -4.2372 -4.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 -2.6285 -3.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 -1.7048 -5.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9001 -3.4275 -5.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2971 -3.9946 -6.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8262 -2.3168 -6.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6798 -3.2663 -8.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7288 -2.4530 -7.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8532 -1.5651 -8.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 6.7206 2.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5838 6.7089 0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6548 5.9892 1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3001 4.4010 1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 4.7948 -1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 3.2646 -0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8272 4.9224 -0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5497 3.4047 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3682 3.8452 -2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8859 2.3592 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1759 2.1289 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6922 3.6977 -1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6688 2.7136 -3.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8125 2.0479 -2.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6226 -0.0519 -2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9582 0.4697 -3.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 0.8264 -2.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7074 1.2490 -4.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3477 -1.1464 -4.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6272 -0.7837 -4.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5013 -1.6564 -2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0711 -2.8452 -3.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4683 -2.4391 -2.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6086 -1.4684 -1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1042 -3.2189 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8031 -3.7531 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3507 -4.4830 -2.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 -5.6194 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6638 -4.5872 -2.3533 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 2 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 2 0 14 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 2 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 17 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 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 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 17 83 1 6 18 84 1 0 18 85 1 0 22 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 24 91 1 0 25 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 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