HMDB0044581 RDKit 3D TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 159158 0 0 0 0 0 0 0 0999 V2000 10.0636 2.3230 -1.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0178 1.2801 -2.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7537 1.6438 -1.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0824 0.9365 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3373 -0.3577 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5476 -1.0946 -0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6293 -2.2336 -1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6134 -3.0913 -1.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1971 -2.7660 -1.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2488 -3.4515 -0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6021 -4.6073 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1027 -5.9205 -0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2908 -6.6756 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -6.2545 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 -6.1888 1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3258 -6.4586 1.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 -6.9282 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4852 -6.2172 -1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 -4.8390 -1.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 -3.7532 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1163 -3.9271 0.5789 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -2.4724 -1.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -1.3053 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4841 -1.4978 0.0613 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2820 -2.1409 -1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3818 -1.3352 -2.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1149 -1.8034 -3.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6884 -2.9220 -3.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -1.0455 -4.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1046 -1.8844 -5.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5216 -1.9850 -5.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3904 -0.7652 -5.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7819 -0.9847 -4.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8065 -0.6596 -3.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7907 0.8606 -3.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7383 1.3092 -1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4240 1.0553 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3616 1.9081 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 1.8084 -1.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9284 2.6299 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 2.5255 -3.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3893 2.9089 -4.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6776 2.7266 -5.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -0.3572 0.5864 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3852 -0.0896 1.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0909 -0.9612 2.7393 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 1.1589 2.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0452 1.3719 3.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6152 1.6164 4.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5223 1.9181 5.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 1.3243 6.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 0.2115 6.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3215 -0.5234 5.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3769 -0.6190 4.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 0.1165 4.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8914 0.9697 3.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 2.2346 3.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6702 3.1439 4.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 3.9696 4.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 5.2713 4.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7142 6.0623 4.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4925 6.9947 5.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4036 7.0389 6.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 6.1514 6.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9432 7.0701 5.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5368 2.0089 -0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5233 3.2582 -1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8247 2.4252 -2.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4377 0.3076 -2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8837 1.5289 -3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 2.6609 -1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1172 1.4201 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4233 -1.0156 -0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3959 -0.1062 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5224 -0.6355 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6953 -2.6367 -1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8416 -4.1918 -1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8471 -3.1324 -2.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7675 -1.9220 -2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2182 -3.1362 -0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7428 -4.6861 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4211 -4.3591 1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3815 -6.4043 -1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0623 -7.7111 0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2623 -6.9916 2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2447 -5.2930 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1418 -5.8139 2.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3115 -6.3311 1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2346 -7.2469 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7599 -7.9891 -0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6192 -6.4586 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6123 -6.8448 -2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 -4.6460 -2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0442 -4.6369 -2.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 -0.4200 -1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -1.1865 0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3761 -2.2374 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3223 -2.3134 -0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -3.1176 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2364 -0.9957 -5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6118 -0.0516 -4.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -1.3969 -6.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6591 -2.8888 -5.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6861 -2.2066 -4.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9434 -2.8778 -5.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4930 -0.7033 -6.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8818 0.1126 -5.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5610 -0.3744 -5.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0266 -2.0444 -4.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9984 -1.0934 -2.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7721 -1.0108 -2.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9943 1.3273 -3.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7814 1.1628 -3.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0194 2.4025 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5025 0.7430 -1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 1.3553 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0766 0.0151 -1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3271 1.3301 -2.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7915 2.8871 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1747 2.1086 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6814 0.7281 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0261 2.4078 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 3.7289 -1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5449 3.1686 -3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 1.4883 -3.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 2.3562 -4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5656 4.0156 -4.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 3.5237 -5.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4946 2.8147 -6.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2852 1.6978 -5.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1393 1.0801 1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5757 2.0322 1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6129 2.2997 4.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4799 0.4763 4.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 0.9445 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3783 2.6090 3.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1451 2.7750 6.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 1.7381 7.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1471 -0.5411 7.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1032 0.5733 6.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5486 -1.1357 4.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3724 -1.2416 3.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 0.6573 5.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4368 -0.6669 4.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0821 0.4078 2.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 2.7619 2.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 2.5892 5.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7726 3.7140 4.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 3.4640 5.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8918 5.8148 5.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8655 5.5224 4.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0367 6.7490 3.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 7.7146 5.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3178 7.7632 7.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3247 5.4485 5.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 5.6893 7.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 7.8178 5.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7402 6.4371 5.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 7.5412 6.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 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 42 43 1 0 24 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 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 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 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 1 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 63154 1 0 64155 1 0 64156 1 0 65157 1 0 65158 1 0 65159 1 0 M END