HMDB0053407 RDKit 3D TG(20:2n6/20:1(11Z)/20:2n6) 181180 0 0 0 0 0 0 0 0999 V2000 -7.0557 -0.9761 1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0704 -1.0445 0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1085 -2.2480 -0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8875 -3.5634 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5445 -3.6741 1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4268 -5.0149 1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2785 -5.2585 3.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2129 -4.2046 4.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3444 -4.5381 5.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0733 -4.8109 6.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 -4.8314 6.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7612 -3.8195 8.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 -3.7399 8.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2803 -3.3160 7.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 -1.9401 7.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3309 -1.4596 6.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -0.0426 5.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8764 0.9582 6.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7349 2.3694 6.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6696 2.6902 5.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0536 1.7716 5.1471 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 3.9561 5.1734 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5003 4.4537 4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 4.3442 2.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8198 3.0803 2.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0566 2.2846 1.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1784 1.6499 1.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 1.7257 2.8435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8476 0.7890 0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 0.2648 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1673 -0.5830 0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 -1.2098 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 -2.0372 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1491 -2.7759 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -3.5923 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0694 -4.4275 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6288 -5.5299 -1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.2404 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 -5.6784 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -6.5085 -1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 -7.8097 -2.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 -8.2722 -2.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8777 -7.5175 -2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 -7.2526 -3.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -8.5654 -3.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1927 -8.3116 -4.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6868 -9.6292 -5.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 5.0120 2.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5839 6.0814 1.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5358 6.5425 1.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7814 6.7508 0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3834 7.6740 -0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7212 6.8950 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 5.8962 -2.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 5.1258 -3.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1985 4.3191 -2.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 3.5331 -3.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 4.4264 -4.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0888 3.6892 -6.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2217 2.8879 -5.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 3.0519 -5.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9604 4.0876 -6.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9513 4.9702 -6.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4705 6.0684 -7.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4555 6.9450 -6.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1247 7.6410 -5.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0459 8.6211 -5.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6748 8.1265 -5.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 9.3160 -5.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1145 -0.9408 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8478 0.0009 2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8703 -1.8256 2.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2757 -0.1585 0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0744 -0.8120 1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1426 -2.2947 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4303 -2.1321 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6761 -3.7891 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9568 -4.3468 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 -3.6483 0.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -2.8248 1.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4724 -5.8602 1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 -6.3225 3.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4723 -3.1858 3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 -4.1354 4.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3630 -4.5496 4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9337 -5.0493 6.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8782 -4.7202 6.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6869 -5.8475 7.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -2.9442 7.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4128 -4.3577 8.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5163 -2.9824 9.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2358 -4.7039 9.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -3.3936 8.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0191 -4.0938 7.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1927 -1.2598 8.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2085 -1.7285 6.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6324 -2.0845 5.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2588 -1.2597 7.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9004 0.2290 5.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1727 -0.1852 5.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 0.6117 7.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7387 0.8720 7.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5311 2.9593 7.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7348 2.7650 6.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5813 4.1353 4.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 5.5876 4.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 5.0933 2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6158 3.3442 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4954 2.5726 2.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6317 1.3521 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -0.0779 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 -0.3194 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3054 1.0927 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3764 -1.4235 0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6324 -0.0000 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 -0.4421 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6593 -1.8845 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 -2.8600 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 -1.4739 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7297 -1.9503 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 -3.3596 -1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 -2.8559 1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 -4.1757 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7785 -4.8336 0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7448 -3.7479 -0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6189 -6.0188 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2394 -6.3428 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2853 -4.6235 -3.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 -5.4027 -3.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -6.7125 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -5.9237 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3897 -8.4261 -2.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1535 -9.2781 -2.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4826 -8.2590 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 -6.6680 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6223 -6.6146 -2.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 -6.7137 -4.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3894 -9.1212 -4.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8365 -9.1451 -2.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6549 -7.7721 -5.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0988 -7.7457 -4.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2643 -9.4509 -6.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 -10.1289 -4.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 -10.3045 -5.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 6.0272 0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2779 7.3881 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2821 8.1483 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6844 8.4267 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2255 6.4617 -1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5159 7.6606 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 5.2128 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4854 6.4705 -2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 5.8185 -3.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6986 4.4416 -3.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9521 4.9642 -2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1162 3.5295 -1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 2.9995 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1842 2.7489 -4.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4902 4.9430 -5.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0886 5.1745 -4.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 4.4182 -6.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3285 3.0019 -6.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 2.0828 -4.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2130 2.3612 -5.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1998 4.6414 -7.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 3.5565 -7.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8235 4.3051 -5.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5818 5.3463 -5.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0915 5.5508 -7.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6909 6.5461 -7.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8047 7.6777 -7.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 6.3478 -6.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0876 8.1733 -4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9574 6.8687 -4.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3317 9.4524 -5.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9927 9.1064 -4.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4634 7.7711 -6.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3884 7.4102 -4.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1084 10.1552 -5.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6469 9.5326 -4.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6979 8.9617 -5.5406 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 2 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 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 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 23105 1 0 23106 1 0 24107 1 0 25108 1 0 25109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 47144 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 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 68177 1 0 68178 1 0 69179 1 0 69180 1 0 69181 1 0 M END