HMDB0052698 RDKit 3D TG(18:2(9Z,12Z)/22:2(13Z,16Z)/20:2n6) 179178 0 0 0 0 0 0 0 0999 V2000 -1.9629 -6.6731 9.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6893 -7.1016 8.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0214 -5.9635 7.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9246 -4.7523 7.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2431 -3.6242 6.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0813 -2.4050 6.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5731 -1.7780 5.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 -2.2475 4.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6108 -2.5554 3.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9743 -1.9193 2.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2098 -0.8612 1.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7986 -1.2273 0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0155 -0.0766 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5663 -0.4516 -1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8067 0.5041 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 0.9607 -1.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6343 1.6024 -0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0168 2.1944 -0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9362 2.8132 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 3.9291 1.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 5.2301 0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0758 5.4362 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6755 4.5722 -1.5616 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3957 6.6740 -1.3735 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2643 6.8641 -2.7708 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2179 7.9167 -3.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 7.4609 -2.4765 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2076 8.0828 -2.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 9.1952 -3.0721 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4235 7.4495 -1.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7705 6.1952 -2.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9836 5.5261 -1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3082 4.2635 -2.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5010 3.5251 -2.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7547 2.2737 -3.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0039 1.5099 -2.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1483 0.3708 -3.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1874 -0.8631 -3.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1006 -1.3484 -1.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9315 -2.2235 -1.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9063 -3.4979 -1.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1399 -4.2454 -1.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0969 -4.8556 0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9478 -3.7639 1.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9009 -4.3575 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7462 -3.2835 3.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6563 7.2683 -3.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4764 6.2170 -2.8661 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 6.0160 -3.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4424 6.9159 -3.6307 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4412 4.8152 -2.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8916 4.5734 -2.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1159 3.2256 -2.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4577 2.6419 -2.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4149 1.2706 -1.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1437 1.4735 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9231 0.1817 0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 -0.4908 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2628 -1.7208 1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 -2.8506 1.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 -4.0392 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5431 -4.3037 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 -4.7720 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4101 -5.9021 -1.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6612 -6.9090 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3843 -7.3545 -1.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1909 -6.5893 -1.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 -5.4450 -2.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8273 -4.2173 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 -6.0559 9.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9305 -6.1498 9.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 -7.5404 10.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9488 -7.9181 8.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6237 -7.4254 7.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8092 -6.3287 6.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0725 -5.7419 8.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 -4.4610 8.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8863 -5.0670 6.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 -3.4365 7.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8738 -3.9902 5.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2963 -2.0032 7.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1835 -0.8781 5.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -1.5289 3.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 -3.2617 4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2403 -3.3475 4.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9504 -2.2394 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 -0.4437 2.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9236 0.0303 1.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -1.3669 -0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1922 -2.1246 0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 0.3702 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7842 0.7679 -0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 -0.7017 -2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 -1.4840 -1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7353 0.1600 -3.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 1.4572 -2.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 1.6671 -2.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 0.0618 -1.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6423 0.6954 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 2.2599 -0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4462 2.7706 -1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6919 1.2770 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9831 3.1384 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 1.9922 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 4.0277 2.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0339 3.5862 1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 6.0202 1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 5.6438 0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 5.9576 -3.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5568 8.8841 -2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0899 7.9842 -4.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 7.2275 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2822 8.1524 -1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 6.4878 -3.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9243 5.4909 -2.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8114 5.3636 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8196 6.2459 -2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4257 3.5812 -2.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5464 4.5709 -3.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4275 4.1248 -2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2953 3.2624 -1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8368 2.4960 -4.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8763 1.6050 -2.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8443 1.3281 -1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8389 2.2529 -2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2248 0.5796 -4.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2919 -1.6572 -3.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0280 -1.8929 -1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0795 -0.5219 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9393 -1.7493 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9267 -4.0138 -1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1730 -5.1558 -1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0356 -3.6624 -1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2166 -5.5181 0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0183 -5.4575 0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7934 -3.0631 1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9643 -3.2754 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8438 -4.9334 2.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0611 -5.0825 2.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5515 -3.2953 4.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7774 -3.3843 4.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8254 -2.2946 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 8.2354 -2.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6476 7.4816 -4.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8775 3.8998 -2.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 4.6920 -1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5364 5.3383 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1438 4.4105 -3.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7682 3.3894 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3557 2.5141 -2.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 3.2434 -1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7615 2.3860 -3.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 0.6410 -1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4107 0.7812 -1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3241 2.1675 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0754 1.9874 0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8709 0.4599 1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8164 -0.4355 0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8178 -0.7272 -0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8803 0.2876 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.8835 0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2639 -1.3720 2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1812 -2.6593 1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6192 -4.8230 0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9241 -3.3757 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0204 -5.0478 0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3499 -4.0633 -1.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 -6.0685 -2.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4578 -6.6595 -0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -7.8792 -1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 -7.8082 -2.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0914 -8.3758 -1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3842 -7.3525 -2.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -6.2740 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 -5.7175 -3.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -5.1152 -2.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1517 -3.3020 -2.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 -4.1680 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7036 -4.0074 -3.1120 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 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 2 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 20105 1 0 20106 1 0 21107 1 0 21108 1 0 25109 1 6 26110 1 0 26111 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 38127 1 0 39128 1 0 39129 1 0 40130 1 0 41131 1 0 42132 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 46142 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 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