HMDB0043406 RDKit 3D TG(15:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) 160159 0 0 0 0 0 0 0 0999 V2000 -0.5296 1.8025 -6.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4095 2.8738 -6.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 3.3308 -7.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4277 2.3116 -7.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2478 1.7002 -6.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 0.7071 -7.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2058 -0.5380 -6.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3437 -1.2336 -5.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5714 -2.3375 -6.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 -2.4528 -6.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3612 -1.4980 -5.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4533 -2.1606 -4.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4112 -1.0600 -4.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3996 -1.5410 -3.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1703 -0.3385 -2.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 -0.6533 -1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 0.6894 -1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0387 0.4956 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3359 -0.7108 -0.2531 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8456 1.4829 0.0367 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9118 1.0085 0.8582 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9409 1.6819 2.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7271 1.5639 2.9239 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6289 2.0998 4.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 2.6639 4.6219 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4643 2.0747 5.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0859 0.7369 5.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 0.9136 6.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4498 -0.3866 7.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2693 -0.9074 6.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 -0.1892 6.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -0.0227 7.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 -0.4717 6.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5035 -1.2165 5.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5818 -0.3942 4.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7937 -0.8092 4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2353 -2.1705 5.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6541 -2.7983 3.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1524 -4.2205 3.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5327 -4.8056 2.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0454 -6.1959 2.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0208 -7.0913 3.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5536 -8.5223 3.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4888 -9.3868 4.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2181 1.4594 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1124 1.1920 -1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4053 2.1437 -2.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0049 3.1355 -1.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1817 1.9555 -3.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5354 2.9741 -4.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1610 3.4389 -4.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7339 4.1261 -2.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 4.5414 -3.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8262 5.2821 -1.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 4.4853 -0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5099 5.2499 0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 5.5905 0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 4.3644 0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3516 3.4560 1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 2.2203 1.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 2.4316 1.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6959 1.1026 1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 1.2913 -6.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0346 1.1003 -7.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2666 2.2843 -7.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7759 2.6226 -5.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7269 3.7595 -6.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9301 3.8400 -8.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0658 4.1661 -6.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9059 1.4972 -8.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1492 2.7517 -8.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6399 1.2622 -5.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8808 2.5595 -6.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9464 1.0748 -7.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9761 -1.1754 -7.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0169 -1.7453 -5.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 -0.5371 -5.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2199 -3.1081 -6.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8724 -3.3399 -7.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 -0.7141 -5.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -1.0889 -6.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1262 -2.5000 -4.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1496 -2.9363 -5.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 -0.6676 -5.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -0.2108 -3.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9142 -2.0865 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 -2.2505 -3.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4972 0.4607 -2.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6842 0.1131 -3.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9985 -1.3068 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8436 -1.1384 -0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 1.4003 -1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3227 1.0701 -2.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 -0.0785 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7714 1.2614 2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1761 2.7796 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6408 2.7387 5.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 2.4908 4.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 0.3052 6.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -0.0225 4.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 1.5328 6.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2246 1.5082 7.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 -0.9551 7.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 -1.8737 7.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4855 0.8134 5.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -0.8631 5.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7565 0.5212 7.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9106 -0.3126 7.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8196 -2.2380 5.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6901 -1.2190 4.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 0.6245 4.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4991 -0.0893 4.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5412 -2.8514 5.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1631 -2.1814 5.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4517 -2.1457 3.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8103 -2.7643 2.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1073 -4.1393 4.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4623 -4.8298 4.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3523 -4.2064 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6274 -4.8266 1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9856 -6.1847 3.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3454 -6.6318 1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0748 -7.1042 2.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7371 -6.8050 4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8011 -8.8960 2.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4614 -8.5470 4.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2802 -10.2801 3.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8221 -9.7141 5.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -8.8209 4.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3741 2.5421 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0980 0.9436 0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6261 0.9714 -3.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2036 1.7035 -3.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 2.6401 -5.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1908 3.9232 -4.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.1367 -4.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 2.5595 -4.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 3.3415 -2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 4.9575 -2.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1532 5.2426 -3.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 3.6663 -3.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7648 5.5739 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 6.2281 -1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3094 3.5737 -0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 4.0957 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 4.6791 1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0618 6.2373 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7094 6.1783 1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 6.2256 -0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8804 4.7448 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3191 3.9068 -0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 4.0447 2.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4188 3.1361 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2842 1.6058 2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 1.5652 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 3.0448 0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 2.8953 2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9859 0.8588 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 0.2646 1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 1.0836 2.0415 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 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 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 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 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 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 21 94 1 1 22 95 1 0 22 96 1 0 26 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 28101 1 0 28102 1 0 29103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 55145 1 0 56146 1 0 56147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 59152 1 0 59153 1 0 60154 1 0 60155 1 0 61156 1 0 61157 1 0 62158 1 0 62159 1 0 62160 1 0 M END