HMDB0049355 RDKit 3D TG(18:1(11Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) 179178 0 0 0 0 0 0 0 0999 V2000 2.2625 -2.6160 -3.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9694 -1.1735 -3.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 -0.9938 -2.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1313 -1.7475 -2.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9273 -1.5824 -0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 -0.1744 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 0.3291 -0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6946 -0.3576 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6788 0.1324 -1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7724 0.7353 -1.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0490 0.9504 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1312 2.4293 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2991 3.1373 1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1813 2.5038 1.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1076 2.7231 3.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0378 3.2599 3.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 3.7053 3.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6558 2.8705 3.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 3.2198 3.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6096 2.9858 1.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 1.9101 1.1529 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 3.8765 0.6993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0366 3.7089 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 4.9362 -1.3034 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9164 4.7464 -2.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 3.5374 -3.0299 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 3.1914 -4.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5878 3.9839 -5.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6122 1.9337 -4.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6295 0.9386 -5.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -0.3958 -5.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1401 -1.2809 -6.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -2.6726 -6.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -3.3008 -5.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 -4.7347 -5.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4565 -5.6125 -5.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6069 -5.4703 -4.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4135 -5.8432 -3.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1473 -6.7857 -2.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 -7.6600 -2.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4435 -9.0941 -2.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 -10.0568 -2.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6902 -9.8248 -3.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7825 -10.8991 -3.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8347 -10.7555 -4.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 6.1167 -1.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 6.9989 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4688 6.6377 0.5859 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1894 8.2505 0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 8.3942 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 7.8670 1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 6.4153 0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3849 6.1780 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2016 6.7796 1.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0482 6.2072 3.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6150 4.8012 3.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4246 4.3123 4.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0037 4.0547 4.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8566 3.6867 6.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4928 3.2524 6.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1453 2.0933 7.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1392 1.1580 7.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 -0.2046 7.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2276 -1.2038 7.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -1.0011 6.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 -0.9373 4.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0998 -2.2182 4.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5179 -2.2007 3.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -2.0700 2.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3209 -2.7798 -4.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 -3.2626 -2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6372 -2.8518 -4.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 -0.6075 -4.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 -0.6231 -3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 -1.2783 -1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 0.1236 -2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6938 -1.3546 -3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 -2.8088 -2.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7455 -2.2762 -1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1691 -1.8996 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 0.4866 -0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4455 1.4241 -0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5016 -1.4477 -0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0964 -0.5901 0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5469 0.0179 -2.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5172 1.0998 -1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5462 0.3881 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1537 0.6208 0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9618 2.9290 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4689 4.2206 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2582 2.9682 1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0488 1.4283 1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9365 2.4386 3.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 3.3980 4.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 3.7712 2.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6198 4.7652 3.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9429 1.8274 3.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5389 3.1192 4.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 2.5573 3.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9194 4.2592 3.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9898 3.5332 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 2.8631 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 4.9934 -0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0981 4.6138 -3.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 5.6223 -3.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1539 1.4623 -3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3741 2.2251 -5.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 1.3884 -6.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 0.8123 -4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6964 -0.8920 -4.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9933 -0.2645 -6.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6612 -0.8092 -7.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 -1.3679 -5.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3652 -2.6347 -7.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -3.3045 -6.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -2.7714 -5.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 -3.1726 -4.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4043 -5.1064 -4.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1977 -4.7905 -6.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7063 -6.6668 -5.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -5.2491 -6.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2804 -4.4066 -4.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3222 -6.0454 -4.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3369 -5.2495 -3.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8764 -6.9448 -1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -7.6120 -1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7281 -7.4832 -3.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0953 -9.2597 -3.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0302 -9.3190 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -11.0856 -2.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3063 -10.0187 -1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -8.8551 -3.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2656 -9.8970 -4.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1943 -10.7724 -2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2901 -11.8928 -3.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 -10.6196 -5.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5024 -9.8941 -4.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4838 -11.6559 -4.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6383 8.9516 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 8.8374 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9268 7.9998 2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 9.5130 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0085 8.3437 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 8.3357 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3869 6.0052 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 5.8629 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 5.1128 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 6.6902 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 6.5171 1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 7.8818 1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6714 6.8313 3.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 6.2483 3.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1845 4.1017 2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7104 4.8472 2.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9982 3.3806 4.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.0659 5.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5585 3.2072 4.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3171 4.9083 4.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0593 4.6552 6.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6652 3.0145 6.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6769 3.9106 6.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0689 1.9257 7.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8882 0.9860 8.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1558 1.6526 7.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2555 -0.6265 7.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6205 -0.0889 6.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6402 -2.2435 7.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8592 -1.1934 8.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 -1.9259 6.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4852 -0.0958 6.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9848 -0.0786 4.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4386 -0.9136 4.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 -2.4522 5.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4108 -3.1082 4.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0018 -3.2074 2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 -1.4658 2.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4691 -1.1286 1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -2.1498 2.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -2.8795 1.3849 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 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 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 24 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 2 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 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 1 25104 1 0 25105 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 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 45138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 69179 1 0 M END