HMDB0054409 RDKit 3D TG(22:2(13Z,16Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 199198 0 0 0 0 0 0 0 0999 V2000 -1.7478 3.5741 1.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 4.8566 1.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6701 5.3141 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8059 5.4643 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1099 5.1796 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8253 4.1639 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1878 2.9987 -0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9118 2.4940 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1768 1.2106 1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7334 0.0714 1.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9950 0.0035 2.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1845 -0.4706 3.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3824 -1.0020 4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9316 -1.3385 4.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9317 -2.8320 4.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -3.7921 3.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9554 -3.6694 2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6817 -4.3906 2.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5197 -3.9370 2.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 -2.5417 1.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1555 -2.0889 2.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2648 -0.6943 2.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 0.1472 3.5256 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8283 -0.2880 1.3771 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 1.0478 1.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 1.5178 -0.0279 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9579 0.8886 -0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0441 1.5255 -1.8983 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1812 1.0889 -2.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 0.1413 -2.6287 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 1.7571 -4.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 0.8493 -5.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6521 1.3687 -6.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7073 2.4797 -6.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 3.8126 -6.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2346 4.7696 -6.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 4.4655 -5.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8999 3.1215 -5.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 2.8267 -4.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 1.4198 -4.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 0.8324 -3.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7721 0.7208 -2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4898 -0.3329 -1.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7487 -1.7412 -2.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3351 -2.1228 -3.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4773 -2.7497 -3.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3359 -3.1623 -2.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6295 -4.6328 -2.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 -5.5623 -2.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6383 -5.4868 -1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5068 -6.5189 -1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 2.9362 0.0387 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1704 3.7827 -0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2905 3.2492 -1.5013 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 5.2373 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7172 5.6822 -1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7351 5.3753 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0686 5.8735 -0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1626 5.8770 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8118 4.8410 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1269 4.0078 2.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2562 3.2305 3.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9781 2.2297 2.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 0.7932 2.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4892 0.2421 3.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2893 -1.1163 3.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2579 -2.0908 3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5108 -2.6656 2.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -1.7630 2.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8331 -2.4065 1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5906 -2.9782 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6037 -3.5422 -1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2993 -4.1300 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2052 -5.2876 -2.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4295 -6.4314 -1.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3322 -6.9223 -2.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7814 -7.4355 -3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 2.7442 2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9528 3.6924 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 3.3777 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4701 4.7548 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9608 5.6938 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7196 5.5483 -0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7743 5.8230 -1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1108 5.0460 1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 6.1557 0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0615 4.4552 -1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7352 2.3289 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8300 2.4130 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1905 3.1871 1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2134 1.1895 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1495 -0.8097 1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6261 -0.7653 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6522 0.9019 2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2698 -0.3446 3.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8550 -1.2630 5.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3907 -0.8481 5.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4897 -1.1660 3.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3377 -3.1190 5.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6286 -4.8500 4.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9018 -2.6382 2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6739 -4.1995 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7925 -5.4953 2.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6795 -4.6648 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0649 -1.8721 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 -2.5086 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 -2.8206 2.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6279 -2.2361 3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 1.2232 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3119 1.6585 1.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 1.3566 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 -0.1726 -0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 1.2656 -0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2971 2.5049 -4.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0666 2.3384 -4.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 0.4547 -4.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 -0.0954 -5.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3218 0.4906 -7.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 1.6357 -7.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3342 2.1413 -7.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9379 2.6438 -8.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 3.9493 -5.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 4.3809 -7.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 5.8183 -6.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6516 4.8303 -7.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9613 4.6955 -4.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 5.2054 -5.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 2.3015 -5.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3831 2.9885 -6.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8431 3.4977 -4.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5972 2.9167 -3.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8555 1.4411 -5.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 0.7837 -4.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 1.5974 -3.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -0.0227 -4.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4666 1.7068 -2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9508 -0.1068 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2418 -2.2062 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7075 -2.2488 -2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -1.9072 -4.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8090 -2.9805 -4.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3286 -2.6233 -2.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0084 -2.8565 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3209 -4.8655 -1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2315 -4.9093 -3.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9383 -6.6117 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8604 -5.5916 -3.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2317 -4.4826 -0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2129 -5.7644 -0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7191 -6.1968 -0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0501 -6.5636 -2.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9148 -7.5226 -0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8965 5.7507 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7103 5.6294 -1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7119 6.8067 -1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0984 5.3325 -2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8244 4.3089 0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4225 5.8756 0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 6.9037 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 5.2789 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0642 6.4319 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9436 6.7406 1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7650 5.2838 1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 4.0477 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3642 3.3260 1.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 4.6807 3.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9296 4.0045 3.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7153 2.8094 3.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9935 2.0747 2.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2141 2.4624 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9944 0.1570 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4039 0.9375 1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9084 0.9640 4.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5654 0.5753 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2577 -1.7095 3.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7066 -1.1684 5.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -3.0129 4.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 -1.7374 4.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2111 -3.2525 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8868 -3.5255 3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8549 -1.3646 2.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1107 -0.8737 1.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9903 -1.7729 0.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -3.3159 1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -2.1374 -0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3603 -3.7018 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9912 -2.6921 -1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8802 -4.2315 -0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6156 -4.3830 -3.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -3.3303 -2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9845 -4.9775 -1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5896 -5.6667 -2.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9972 -6.1448 -0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1603 -7.2430 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5412 -6.1574 -2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8233 -7.7675 -1.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 -7.9409 -3.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9763 -8.1391 -3.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8065 -6.6369 -4.3871 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 2 0 53 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 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 1 78 1 0 1 79 1 0 1 80 1 0 2 81 1 0 2 82 1 0 3 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 19104 1 0 20105 1 0 20106 1 0 21107 1 0 21108 1 0 25109 1 0 25110 1 0 26111 1 6 27112 1 0 27113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 51152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 66175 1 0 66176 1 0 67177 1 0 67178 1 0 68179 1 0 68180 1 0 69181 1 0 69182 1 0 70183 1 0 70184 1 0 71185 1 0 71186 1 0 72187 1 0 72188 1 0 73189 1 0 73190 1 0 74191 1 0 74192 1 0 75193 1 0 75194 1 0 76195 1 0 76196 1 0 77197 1 0 77198 1 0 77199 1 0 M END