HMDB0050325 RDKit 3D TG(20:1(11Z)/15:0/20:2n6) 170169 0 0 0 0 0 0 0 0999 V2000 -8.7471 -3.3943 -2.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4021 -2.6301 -3.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9847 -2.9857 -4.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5639 -2.2409 -5.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1275 -2.6795 -5.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -2.0454 -7.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5291 -1.2894 -7.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -0.9774 -5.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3561 -1.4177 -6.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7338 -2.2838 -5.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3551 -2.9259 -4.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 -2.6497 -2.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7834 -3.1567 -2.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6064 -2.9495 -1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0748 -3.6446 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0455 -3.3235 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6405 -3.9891 1.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -3.6053 2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 -4.2308 4.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1758 -3.8157 4.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 -4.3777 5.9156 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3231 -2.8225 4.3273 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8766 -2.5475 5.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6814 -1.4599 4.4526 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7324 -1.0515 5.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -0.9815 6.7396 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 -0.1029 7.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7426 0.7499 6.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -0.2080 8.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 0.7725 8.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 0.8423 7.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7859 1.7740 8.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9168 1.9184 7.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4974 0.6116 7.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 0.8788 6.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2696 1.7613 4.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 1.9219 4.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 2.8740 2.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 2.6254 1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3959 1.3131 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3082 0.7696 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9754 0.5215 0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2681 1.7019 1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 1.3250 1.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2179 2.5334 2.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 3.7015 1.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 3.3588 0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1717 -1.6372 3.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 -0.9164 2.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2357 0.0911 2.1157 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5892 -1.2585 0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9418 -0.6866 0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0363 0.7879 0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 1.5325 -0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6095 1.2152 -1.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8309 1.9755 -2.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3553 1.6920 -2.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5913 2.4702 -3.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8777 2.1310 -3.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 2.8728 -4.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 2.4914 -4.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9891 3.2551 -5.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4613 2.9692 -5.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7985 1.5168 -5.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8462 -3.4345 -2.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2604 -2.8466 -1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3859 -4.4395 -2.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0516 -3.0588 -4.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5293 -1.5510 -3.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2458 -2.7458 -3.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8804 -4.0581 -4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6567 -1.1593 -5.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2242 -2.5730 -6.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -3.7942 -6.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 -2.6044 -4.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1125 -2.2192 -8.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1564 -0.8251 -8.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 0.1709 -5.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1937 -1.2052 -4.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8282 -0.9635 -6.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3233 -2.5830 -5.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 -4.0415 -4.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 -2.8428 -4.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6183 -1.6014 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 -3.3071 -2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 -2.7214 -3.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7568 -4.2597 -3.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6858 -1.8661 -1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6418 -3.3074 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0587 -3.3293 -0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0762 -4.7442 -0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0586 -3.6524 0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0368 -2.2215 0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 -3.6204 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 -5.0890 1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7405 -2.4953 3.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6996 -3.9495 2.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2777 -3.9785 4.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 -5.3458 4.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 -3.5154 5.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 -2.2319 6.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 -0.5479 4.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 -0.0345 5.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5964 -1.7358 5.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 -1.2366 8.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2856 -0.1820 9.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 1.7866 9.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9446 0.4545 9.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1852 -0.1597 7.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4035 1.1856 6.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 2.7566 8.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 1.3732 9.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6672 2.5918 7.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 2.4853 6.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7186 0.0650 6.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 0.0479 7.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5185 1.3322 6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0203 -0.0858 5.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0795 2.7849 5.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 1.4296 4.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2572 2.4046 4.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9034 0.9705 3.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9355 3.9361 3.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8913 3.4472 0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3089 1.4048 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5830 0.5324 1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7111 -0.2309 -0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 1.4093 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 0.1310 -0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9837 -0.3357 1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0676 2.4012 0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 2.1678 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9107 0.5022 2.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 1.0021 0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8327 2.8198 3.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 2.2694 2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 4.5394 2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0538 4.0038 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 2.9742 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7127 2.5612 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 4.2676 -0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8963 -1.0479 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6907 -2.3828 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2599 -1.0157 -0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6607 -1.1781 1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 1.1177 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0931 1.1356 0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1328 1.3672 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3951 2.6176 -0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 0.1248 -2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6968 1.4220 -2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1522 1.5381 -3.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 3.0650 -2.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 1.7870 -1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2334 0.6130 -3.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7298 3.5492 -3.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 2.0248 -4.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 1.0357 -3.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 2.4193 -2.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 3.9566 -4.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 2.6107 -5.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 2.7390 -3.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 1.4093 -4.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 4.3385 -5.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6709 2.9740 -6.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8527 3.3469 -4.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9739 3.5591 -6.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 0.9929 -6.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9325 1.0458 -4.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7609 1.3953 -6.1861 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 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 2 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 24 48 1 0 48 49 1 0 49 50 2 0 49 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 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 23100 1 0 23101 1 0 24102 1 6 25103 1 0 25104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 46137 1 0 46138 1 0 47139 1 0 47140 1 0 47141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 0 59159 1 0 60160 1 0 60161 1 0 61162 1 0 61163 1 0 62164 1 0 62165 1 0 63166 1 0 63167 1 0 64168 1 0 64169 1 0 64170 1 0 M END