HMDB0107079 RDKit 3D TG(a-17:0/20:0/15:0)[rac] 167166 0 0 0 0 0 0 0 0999 V2000 -1.9724 1.3410 -6.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7316 0.0623 -6.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1965 0.3009 -6.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4673 1.1815 -5.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9048 0.5426 -3.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1791 1.4525 -2.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6045 0.8046 -1.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8206 1.6377 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 2.9892 -0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3179 3.8869 0.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 3.2963 2.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7874 4.2265 3.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 3.6410 4.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 4.5903 5.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5944 4.1385 6.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0803 3.8993 6.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3669 3.4531 8.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7894 3.2046 8.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 2.1895 7.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 2.2107 6.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8096 2.8536 5.8334 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 1.6403 5.2423 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 1.7158 3.8997 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5594 2.5439 3.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 2.5250 1.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6103 3.2810 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6022 4.0070 0.9892 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0969 3.3253 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 4.3032 -0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4496 3.9375 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 2.6012 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4701 2.6094 -1.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 1.2371 -2.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5295 0.8711 -3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8143 0.8521 -4.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6489 -0.0111 -4.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3395 0.2094 -4.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 1.2791 -4.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8524 2.6917 -4.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7006 3.5429 -5.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4751 3.3955 -4.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 0.3265 3.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4057 -0.4504 3.5929 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 -1.7603 3.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.2265 2.6295 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 -2.6883 3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 -2.1165 4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9745 -3.1370 4.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5082 -3.6144 2.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0999 -2.5203 2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 -3.0010 0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5323 -3.5932 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0417 -4.1056 -1.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9234 -4.6706 -2.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2411 -5.8038 -1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1329 -6.3004 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 -7.4415 -1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -7.9231 -2.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0859 -8.4106 -4.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5404 -8.9891 -2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 -9.4705 -2.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8844 1.0528 -6.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2394 1.7810 -7.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1221 2.1188 -5.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2503 -0.5688 -5.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6588 -0.5223 -7.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5952 0.7681 -7.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 -0.6693 -6.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0296 2.1643 -5.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5475 1.3091 -4.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 0.2836 -3.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5157 -0.3774 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7318 2.4172 -2.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 1.5527 -2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1561 -0.1612 -1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 0.5346 -1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9064 1.8139 0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3618 1.1498 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0735 2.7700 -0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4775 3.5081 -1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4191 4.0532 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 4.8685 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6528 2.9662 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 2.3452 2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3694 5.2178 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8665 4.3843 3.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 2.6732 4.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0586 3.4004 4.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3199 4.6981 5.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7818 5.5767 5.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0447 3.2192 7.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7416 4.9456 7.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 3.2564 6.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3718 4.9095 6.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 2.5787 8.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 4.2680 8.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 2.9781 9.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3957 4.1977 8.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5692 2.1359 8.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1325 1.1481 8.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 2.2210 3.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5128 2.2023 2.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5877 3.5994 3.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 2.3035 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 3.5824 -1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 5.2879 -0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 4.4504 -1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2237 4.7018 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 3.9399 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9217 2.4044 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3365 1.7558 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3623 3.3214 -2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7573 3.0204 -2.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2606 0.4794 -1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 1.1224 -1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4971 1.4521 -3.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9439 -0.2011 -3.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6756 1.9144 -5.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 0.4931 -5.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9726 -1.0730 -4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -0.2145 -6.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7505 -0.7647 -4.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4122 0.2306 -3.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0469 0.9673 -5.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5216 1.2375 -4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 2.8993 -5.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9254 3.1619 -3.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 4.5845 -5.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 3.2519 -6.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 4.2053 -4.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7535 3.5696 -3.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 2.4060 -4.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8448 0.2377 2.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 -0.2218 3.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -3.0052 2.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 -3.6507 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5331 -1.8708 5.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 -1.2062 3.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -2.6692 4.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5781 -3.9823 4.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 -4.3306 3.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7416 -4.1779 2.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9123 -1.9834 2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3363 -1.7270 1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0513 -2.1153 0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4794 -3.7132 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0623 -4.4457 0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7514 -2.8436 -0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 -4.9093 -1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6114 -3.3194 -1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 -3.8654 -2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3598 -5.0360 -3.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7648 -5.4878 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 -6.6467 -1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6577 -6.7296 -3.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5149 -5.4663 -2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0995 -7.1051 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1358 -8.2418 -1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 -7.0741 -2.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2559 -9.1065 -3.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8202 -8.9743 -4.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 -7.5734 -4.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9267 -8.6078 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9048 -9.8785 -1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4834 -10.5407 -3.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 -8.8978 -3.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 -9.4039 -2.4671 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 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 2 0 26 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 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 23 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 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 57 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 1 24102 1 0 24103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 41132 1 0 42133 1 0 42134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 59160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 61167 1 0 M END