HMDB0072029 RDKit 3D TG(10:0/i-16:0/18:0) 143142 0 0 0 0 0 0 0 0999 V2000 -0.6867 1.5880 -6.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7539 0.8136 -6.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7669 1.7444 -5.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 1.0580 -4.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2984 0.2750 -3.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4076 -0.4127 -3.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9309 -1.2101 -1.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2019 -1.8327 -1.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -2.6562 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2494 -3.3182 0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8104 -4.5376 -0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9477 -4.6829 -1.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7672 -4.9653 -2.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1817 -6.3288 -2.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8464 -6.9604 -1.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1432 -8.3085 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7937 -8.1108 -1.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9273 -7.3177 -1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6255 -7.8330 0.0562 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4078 -6.0604 -1.3096 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5882 -5.4351 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1697 -4.0386 -0.8476 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4275 -4.1624 -2.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6497 -3.0486 -2.9432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -1.9570 -2.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0861 -1.8512 -1.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 -0.8621 -3.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 0.4135 -3.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0981 0.8709 -2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 2.1158 -1.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6596 2.4940 -0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 3.7098 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0893 3.9109 1.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1645 5.1145 2.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9486 5.2948 3.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6272 -3.4198 0.1093 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2519 -2.3038 0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8856 -1.8285 0.5458 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 -1.7051 1.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3532 -1.1558 1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2465 -0.5210 2.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 -1.4874 3.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5182 -0.9848 4.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1453 0.0609 5.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 1.4367 5.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9115 2.0707 4.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5811 3.4772 3.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7151 4.0782 2.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4394 5.4817 2.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2337 5.6382 1.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0312 7.0896 1.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 7.8675 2.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 7.3238 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 1.5349 -6.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 2.6507 -7.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 1.1652 -8.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2768 0.1373 -6.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2706 0.2021 -5.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 2.4107 -4.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1974 2.3853 -6.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5654 1.8477 -4.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4495 0.3858 -5.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6347 -0.5195 -4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 0.9254 -3.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1790 0.3101 -2.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9422 -1.0737 -3.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1608 -1.9468 -2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5204 -0.5301 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 -2.2151 -2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 -0.9081 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5775 -1.9873 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2021 -3.4321 -0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1152 -3.4682 1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0975 -2.5198 0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3613 -5.4410 0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8961 -4.6140 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4820 -3.7701 -1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7084 -5.5123 -1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0673 -4.6687 -3.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8903 -4.2787 -2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7808 -7.0331 -3.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2181 -6.2295 -3.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8536 -7.2150 -0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2977 -6.3423 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9901 -8.7521 -0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7632 -8.9889 -1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8739 -7.6214 -2.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2704 -9.1066 -2.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3483 -5.9893 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1126 -5.2903 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1545 -3.4944 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 -4.7868 -2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 -4.8626 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4383 -0.6012 -4.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 -1.1783 -4.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0223 0.2514 -2.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1209 1.2062 -3.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9779 0.0943 -1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1086 1.0985 -2.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 2.9106 -2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6393 1.8504 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 1.6725 0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3113 2.7062 -0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9587 3.5148 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 4.6299 -0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 4.0850 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2473 3.0086 2.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 4.9071 2.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2885 6.0361 1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4117 4.3535 3.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 5.9435 2.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5523 5.7984 4.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -2.5075 2.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 -0.9455 2.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9479 -1.9233 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1536 -0.3327 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1878 -0.2656 1.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8012 0.4195 2.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 -2.4153 3.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 -1.9544 3.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9051 -1.8706 5.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 -0.6322 4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 0.1615 6.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 -0.2775 6.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 1.4714 4.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7285 2.0319 6.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8392 2.0374 4.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1113 1.4664 3.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6455 3.4780 3.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 4.0961 4.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6019 4.1073 3.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 3.4130 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 5.9260 2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2862 6.1063 3.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3261 5.2439 2.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 5.0502 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 7.4555 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5658 7.2054 3.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 8.6188 2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8233 8.3468 2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9383 7.6218 1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0128 8.2221 -0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5944 6.4772 -0.1888 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 1 0 34 35 1 0 22 36 1 0 36 37 1 0 37 38 2 0 37 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 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 51 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 21 90 1 0 22 91 1 6 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 35112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 52138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 53143 1 0 M END