HMDB0042237 RDKit 3D TG(14:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -8.6598 1.0493 -2.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0482 1.9996 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7830 3.2550 -1.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2896 4.4534 -1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8570 4.6116 -2.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8633 5.2904 -3.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2875 6.4117 -3.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5356 7.2711 -2.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1951 7.1148 -1.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9314 6.9930 -0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7749 7.0020 -1.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7322 6.0071 -1.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4624 5.0047 -1.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0791 4.4004 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4975 3.0279 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6981 2.4926 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7748 3.2965 0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3578 2.8904 1.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 1.7242 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7516 0.3960 1.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6094 0.0250 0.5004 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4343 -0.6167 2.6735 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0085 -1.8605 2.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6536 -1.7415 1.5831 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2909 -3.0275 0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9195 -2.9992 0.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2139 -3.9679 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7338 -4.9716 -0.5739 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -3.8465 -0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -2.3710 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1048 -1.5496 -0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0122 -0.1026 -0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 0.7567 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4012 0.7931 -0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 1.9795 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5058 2.1236 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 1.0357 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 1.2150 1.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1869 0.2387 2.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8347 -1.1904 2.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4219 -1.4885 2.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6466 -1.5674 2.5874 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8736 -0.4470 2.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.5519 2.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -0.4257 3.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0448 -0.6823 5.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3091 -0.6264 5.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 -1.6734 5.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -3.0596 5.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5936 -4.1491 5.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 -4.2244 3.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6545 -5.4355 3.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9238 -5.9585 2.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -5.3263 0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0172 -4.8708 1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6026 -4.4870 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9194 -3.4169 -1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6006 -3.2826 -2.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8719 -2.1682 -3.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4717 -2.1260 -4.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0492 -1.1537 -5.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6668 -1.0362 -6.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 -0.4772 -5.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7033 0.9769 -4.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 1.4770 -4.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7552 1.0360 -2.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4135 1.3606 -3.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2391 0.0406 -2.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9732 2.0138 -1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2900 1.4385 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8552 3.2376 -1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9108 5.3250 -1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3456 5.0706 -1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3665 3.6192 -2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4168 4.7525 -4.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4106 6.7694 -4.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1604 8.3052 -2.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 7.7198 -3.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9706 7.1198 -0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8855 6.9207 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 8.0119 -1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1445 7.1529 -2.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9975 6.1957 -2.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 4.4049 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 5.0452 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2183 4.2788 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7338 2.3632 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7703 1.4551 -0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6335 3.2038 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 4.3632 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9649 3.7991 2.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5493 2.8555 2.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2320 1.8593 1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5627 1.6528 3.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1516 -2.6854 2.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7059 -2.0704 1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5991 -0.8975 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5494 -3.9273 1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8154 -3.0892 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6408 -4.0301 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6612 -4.5290 0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 -2.0931 1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 -2.3253 0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 -1.9383 -1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7027 -1.8430 -1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1838 0.2964 -1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0428 0.1243 -0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6243 1.8314 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0799 0.6514 0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9497 -0.1284 -0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 0.9526 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5366 2.8952 -0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8794 1.9603 1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 2.1292 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9274 3.0871 0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0192 0.0244 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 1.1318 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 0.9727 2.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 2.2533 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 0.4080 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1888 0.3866 3.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5455 -1.8030 2.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9706 -1.4577 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4626 -2.4199 3.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1302 -0.6579 3.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 -1.4742 1.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0709 -1.2578 3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1395 0.4884 3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5705 -1.5860 5.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6033 0.2031 5.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0889 -0.8347 6.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7206 0.3880 5.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -1.5974 6.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6186 -1.4373 4.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 -3.1101 5.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6524 -3.2091 6.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6336 -4.1265 5.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 -5.1646 5.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 -4.4049 3.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -3.2851 3.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5941 -5.2305 3.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 -6.2522 3.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 -7.0213 2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8855 -6.3765 1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -6.0816 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9921 -4.4870 0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 -5.7613 1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -4.1072 1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5529 -5.4270 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6887 -4.2619 -0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8515 -3.6982 -1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9271 -2.4187 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6396 -3.0217 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5159 -4.2167 -2.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0775 -1.2630 -2.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8279 -2.4927 -3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6249 -2.1159 -4.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3026 -3.1726 -5.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6754 -1.4525 -6.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 -0.1387 -5.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3254 -2.0715 -6.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6168 -0.4483 -7.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -1.0150 -4.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5842 -0.6780 -5.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8034 1.1932 -4.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4807 1.6066 -5.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6155 2.3380 -3.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6791 1.9372 -4.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 0.7738 -3.4564 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 24 42 1 0 42 43 1 0 43 44 2 0 43 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 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 62 63 1 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 6 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 41126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 65169 1 0 M END