HMDB0043292 RDKit 3D TG(15:0/20:1(11Z)/24:1(15Z)) 184183 0 0 0 0 0 0 0 0999 V2000 -3.4105 -7.0617 5.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 -8.1546 4.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 -7.8634 3.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2168 -8.8949 2.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1457 -9.0060 1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -7.6908 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9846 -7.6476 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5884 -7.9608 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5663 -7.9243 -0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4909 -7.1449 -1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 -6.1563 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 -6.4321 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2808 -6.4059 -0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4663 -5.0389 -0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6895 -5.0690 -1.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8961 -3.7553 -2.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.6627 -1.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3084 -1.3086 -2.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1359 -0.9185 -2.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4414 0.4435 -3.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3096 0.8838 -4.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 0.9772 -3.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9685 1.4466 -4.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 1.5799 -4.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2173 0.6029 -4.2415 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 2.7436 -3.5775 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2185 2.7731 -3.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6449 4.0287 -2.4899 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1448 3.9225 -2.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3452 2.9086 -1.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 2.8833 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0326 3.8084 0.4227 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0199 1.7917 1.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 1.9643 2.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0344 1.1088 3.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6618 -0.2763 3.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -1.3913 2.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9825 -1.6244 1.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8275 -2.8174 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 -3.1106 -0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9388 -1.9920 -1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7575 -2.3837 -2.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 -2.8405 -3.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 -3.1873 -4.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2743 -4.2573 -5.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -5.5478 -4.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4773 5.1110 -3.4236 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8943 6.3032 -2.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5906 6.3026 -1.7416 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6826 7.4424 -3.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4713 8.7301 -3.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3486 8.8861 -2.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0479 8.8828 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 7.8011 -3.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8428 6.4608 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4139 6.3431 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4731 4.8696 -1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9379 4.5393 0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 5.0325 0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4165 5.8123 1.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 6.2875 2.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 5.8258 4.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1926 6.3486 4.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 5.9850 6.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 6.4881 7.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8589 5.9781 8.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 6.4413 9.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 7.9662 9.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0937 -6.1355 4.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3638 -6.8343 5.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6674 -7.3370 5.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7026 -9.1589 4.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7639 -8.1231 3.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9227 -6.8347 2.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7345 -7.8884 4.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1389 -8.5354 1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 -9.8721 2.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 -9.3984 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5152 -9.7583 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6791 -6.9481 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0066 -7.3682 0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9298 -6.6050 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1992 -8.3325 -1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 -8.9976 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 -7.2869 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 -8.6256 -1.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -7.1981 -1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0179 -6.0240 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -5.1523 -0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 -7.3659 1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 -5.6078 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2973 -7.1887 -0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 -6.5632 0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5452 -4.2635 -0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5506 -4.8369 -1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5642 -5.2337 -1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6653 -5.9375 -2.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7443 -3.8159 -3.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 -3.5210 -3.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 -2.8599 -0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1117 -2.5702 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2065 -1.3342 -2.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4189 -0.5394 -1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2218 -0.8859 -2.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 -1.6297 -3.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3464 0.4112 -4.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6568 1.1237 -2.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 1.8120 -4.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2242 0.0994 -5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6889 -0.0492 -3.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0573 1.6151 -2.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 0.6814 -5.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3604 2.3757 -5.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 2.5063 -3.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3134 1.9007 -2.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1623 4.2526 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6587 3.5823 -3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5514 4.8648 -1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0497 2.0265 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1397 0.8468 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 3.0562 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9943 1.9745 1.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5259 1.7141 4.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1393 1.2183 3.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7287 -0.4940 4.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4979 -0.3291 3.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4001 -1.2943 2.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0377 -2.3828 3.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 -2.0942 1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 -0.8171 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4733 -3.6947 1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8964 -2.6967 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2322 -3.9948 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -3.4308 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -1.0830 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9984 -1.6881 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 -1.4789 -3.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -3.2007 -3.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 -2.0301 -3.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -3.7643 -2.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 -2.2666 -5.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -3.5065 -5.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1123 -4.4358 -6.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 -3.9734 -5.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8594 -6.2592 -4.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -5.3580 -3.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1046 -6.0304 -4.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5599 7.5254 -4.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 7.2073 -4.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 9.5509 -3.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 8.9111 -2.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 9.9433 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5568 8.2523 -1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6996 9.2788 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1577 9.7993 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4522 7.6733 -4.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 8.1626 -3.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8943 5.9030 -2.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5408 5.8593 -3.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4726 6.7013 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9085 6.9262 -0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 4.4710 -1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0223 4.3019 -1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9805 3.3888 0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 4.7767 1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1128 4.7386 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4687 6.1298 2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 6.1340 2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4373 7.4421 2.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4252 4.7207 4.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 6.1960 4.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2545 5.9630 4.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1475 7.4480 4.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 6.3578 6.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0133 4.8616 6.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2219 7.5889 7.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1335 6.0350 6.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 6.3342 8.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 4.8717 8.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9026 6.0226 9.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5332 6.1499 10.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1757 8.4012 10.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4611 8.3304 8.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 8.2689 9.3400 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 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 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 2 0 31 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 1 0 43 44 1 0 44 45 1 0 45 46 1 0 28 47 1 0 47 48 1 0 48 49 2 0 48 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 2 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 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 6 81 1 0 7 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 11 89 1 0 12 90 1 0 12 91 1 0 13 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 15 96 1 0 15 97 1 0 16 98 1 0 16 99 1 0 17100 1 0 17101 1 0 18102 1 0 18103 1 0 19104 1 0 19105 1 0 20106 1 0 20107 1 0 21108 1 0 21109 1 0 22110 1 0 22111 1 0 23112 1 0 23113 1 0 27114 1 0 27115 1 0 28116 1 1 29117 1 0 29118 1 0 33119 1 0 33120 1 0 34121 1 0 34122 1 0 35123 1 0 35124 1 0 36125 1 0 36126 1 0 37127 1 0 37128 1 0 38129 1 0 38130 1 0 39131 1 0 39132 1 0 40133 1 0 40134 1 0 41135 1 0 41136 1 0 42137 1 0 42138 1 0 43139 1 0 43140 1 0 44141 1 0 44142 1 0 45143 1 0 45144 1 0 46145 1 0 46146 1 0 46147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 52152 1 0 52153 1 0 53154 1 0 53155 1 0 54156 1 0 54157 1 0 55158 1 0 55159 1 0 56160 1 0 56161 1 0 57162 1 0 57163 1 0 58164 1 0 58165 1 0 59166 1 0 60167 1 0 61168 1 0 61169 1 0 62170 1 0 62171 1 0 63172 1 0 63173 1 0 64174 1 0 64175 1 0 65176 1 0 65177 1 0 66178 1 0 66179 1 0 67180 1 0 67181 1 0 68182 1 0 68183 1 0 68184 1 0 M END