HMDB0044083 RDKit 3D TG(16:0/18:1(11Z)/20:0) 171170 0 0 0 0 0 0 0 0999 V2000 -7.6679 3.7622 4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9471 4.5422 3.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6097 3.6917 2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4226 2.4122 2.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0485 1.6067 1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8503 0.2962 1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6350 -0.5558 2.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1130 -1.7611 2.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6836 -2.3996 0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2086 -2.6801 0.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5575 -3.2897 -0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6528 -2.4176 -1.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0035 -2.9344 -2.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5058 -3.1459 -2.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8963 -3.6476 -3.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1118 -2.6724 -4.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5335 -1.3239 -4.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0805 -1.3109 -4.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4251 -2.3624 -4.6881 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -0.1884 -4.1497 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0409 -0.1965 -4.0073 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7658 0.6383 -5.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3838 2.0232 -4.9669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 2.9419 -5.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 2.4669 -6.6127 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7287 4.3758 -5.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 5.1445 -4.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 4.6722 -3.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9581 5.3469 -2.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4486 5.0646 -2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6431 3.5724 -2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1121 3.1669 -2.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1257 1.6780 -2.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5193 1.0510 -2.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0742 1.4083 -3.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3421 0.8921 -4.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6365 1.0807 -3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7701 0.4271 -2.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1736 0.6698 -1.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2359 -0.0195 -0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5724 0.0676 -2.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 -0.8443 -1.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -1.1172 -1.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0152 -0.4780 -1.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1925 -2.1793 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1584 -2.8737 0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 -3.9820 1.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -4.7074 1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -4.1413 2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 -3.6583 3.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4791 -2.4880 3.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 -1.2741 2.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 -0.0329 2.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 0.8027 4.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7975 0.5446 5.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8778 -0.5878 6.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2215 -0.5342 7.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -0.5986 6.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6609 -0.5400 7.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0502 -0.6142 6.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1087 -0.5556 8.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4953 -0.6248 7.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7461 -1.9047 6.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1138 2.8174 4.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1124 4.3778 5.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6322 3.4203 5.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2939 5.4388 3.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9886 4.8956 3.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7881 4.3058 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5401 3.4194 2.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5108 2.6998 2.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3289 1.8508 3.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9564 1.4138 1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2713 2.1490 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8397 -0.1672 0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9258 0.6844 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9075 -0.2223 3.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9673 -2.3664 2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8815 -1.8445 -0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1778 -3.4178 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0439 -3.3248 1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7428 -1.6970 1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0451 -4.2907 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 -3.5101 0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7316 -2.2073 -1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1215 -1.4608 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5144 -3.8658 -2.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1938 -2.1948 -3.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 -3.9622 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0148 -2.2760 -2.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8294 -3.9025 -3.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4308 -4.5846 -4.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1594 -2.6103 -5.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5749 -3.1006 -5.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0341 -0.7861 -3.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 -0.6953 -5.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3669 -1.2659 -4.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 0.2557 -6.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 0.6236 -4.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6648 4.6310 -5.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 4.7661 -6.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 6.2247 -4.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6258 4.9997 -4.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 3.5820 -3.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0974 4.9805 -3.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7569 6.4324 -2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 5.0122 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8261 5.5149 -3.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9365 5.5167 -1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1925 3.2166 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1233 3.1259 -3.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6981 3.6861 -1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4269 3.5661 -3.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 1.2392 -3.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6658 1.4281 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0533 1.4686 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4018 -0.0178 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0714 2.5336 -4.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2771 1.0831 -4.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4568 1.3128 -5.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1852 -0.2142 -4.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4725 0.6104 -4.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9731 2.1552 -3.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0295 0.7374 -1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6251 -0.6866 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2931 1.7636 -1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8851 0.2604 -2.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5952 -0.9120 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9806 0.7382 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3044 -0.3149 -0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 1.0791 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 0.1723 -2.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8944 -2.9730 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5745 -1.7699 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 -2.1796 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3362 -3.3861 -0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3626 -4.8090 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4135 -3.7073 2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9495 -5.5998 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6278 -5.3223 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9331 -3.3068 1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2635 -4.9804 2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0582 -4.5034 4.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4245 -3.4352 3.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4234 -2.6555 3.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -2.2636 4.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9449 -0.9790 3.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3323 -1.5125 1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1466 -0.3164 2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5757 0.6483 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7751 1.1654 4.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4654 1.8469 3.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2261 0.4801 4.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6813 1.5330 5.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5584 -1.5124 5.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 -0.7300 6.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 0.4431 7.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0617 -1.3632 7.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7095 -1.6148 6.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7909 0.1291 5.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 -1.3171 8.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5959 0.4672 8.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0963 -1.6100 6.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1847 0.1742 6.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9546 0.3510 8.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 -1.4621 8.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6597 0.2542 6.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2667 -0.4959 8.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4384 -2.7570 7.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2559 -1.9236 5.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8586 -2.0233 6.5751 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 2 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 2 0 24 26 1 0 26 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 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 21 41 1 0 41 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 6 22 98 1 0 22 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 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 63171 1 0 M END