HMDB0053332 RDKit 3D TG(20:2n6/22:0/22:2(13Z,16Z)) 195194 0 0 0 0 0 0 0 0999 V2000 0.7671 -4.7280 -0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9412 -5.6457 -0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8637 -6.8814 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8673 -6.6096 1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -7.9755 2.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 -7.8089 3.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7513 -8.3722 4.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 -9.1958 3.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2145 -8.9168 4.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 -7.9987 4.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3456 -6.8933 5.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 -5.5494 4.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2795 -5.1074 3.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9021 -3.7363 3.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5255 -2.9883 2.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 -3.5795 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2535 -2.4896 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3401 -2.9804 -1.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9064 -1.8556 -2.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9007 -2.3818 -3.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -1.2764 -4.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1518 -0.7991 -4.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4342 -1.4419 -3.6365 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6132 0.3754 -4.9317 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 0.7803 -4.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 2.0999 -5.1566 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4012 2.5387 -4.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5052 2.7640 -3.2808 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2013 3.6034 -2.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 4.2613 -3.0572 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0273 3.8602 -1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 3.1310 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5692 1.6416 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4072 1.1046 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2571 -0.3529 1.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1846 -0.6688 1.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 -2.1427 2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6854 -2.4382 2.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8585 -3.9049 2.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2419 -4.1982 3.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6861 -4.5827 4.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -4.7957 5.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1605 -4.0610 6.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0063 -3.1173 7.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9411 -2.5799 6.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4025 -2.7911 6.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2497 -2.2138 5.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0731 -0.7515 5.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0308 -0.3721 4.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 1.9399 -6.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7703 2.5671 -7.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6392 3.2940 -6.9845 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5582 2.3025 -8.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1713 3.1817 -9.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 4.5963 -9.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1014 5.5066 -8.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5662 6.8987 -9.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0113 7.9773 -8.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 7.8524 -6.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 7.7514 -6.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 7.6723 -4.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0242 7.5448 -4.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 7.5241 -2.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8348 7.3670 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8885 8.4211 -1.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 8.2290 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5168 8.3105 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6175 8.1047 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2575 6.7573 1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2702 5.6402 1.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 5.7672 2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6712 4.6199 3.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3908 3.3030 3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1855 -4.9496 0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -4.8499 -1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 -3.6689 -0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -5.0883 -0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0467 -5.9473 -1.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9309 -7.4492 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7734 -7.4972 -0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8284 -6.1590 1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 -5.9475 1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4839 -8.6015 1.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -8.3273 1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0279 -7.1765 4.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5831 -8.1767 5.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -9.4275 2.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6117 -10.3041 4.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -9.6559 3.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0186 -8.0150 4.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2831 -6.9231 5.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 -7.0047 6.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8984 -5.4952 5.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4494 -4.7903 5.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1805 -5.0857 3.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 -5.7547 2.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9966 -3.8833 3.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5778 -3.1513 4.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1201 -2.0153 2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4563 -2.6387 2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7909 -3.8083 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1022 -4.4737 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2056 -2.2683 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9185 -1.6037 0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3962 -3.2086 -1.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6654 -3.8427 -1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7514 -1.0995 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9932 -1.3818 -2.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1747 -3.2298 -3.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 -2.7692 -4.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2752 -0.4946 -4.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 -1.7745 -5.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 0.8854 -3.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5431 0.0054 -4.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7044 2.8253 -4.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1878 1.7702 -4.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 3.5180 -5.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 3.7221 -0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1147 4.9791 -0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8814 3.2817 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4771 3.5549 0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9573 1.1644 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4549 1.3134 0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2133 1.7195 2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4933 1.2761 0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5501 -0.9105 0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8796 -0.6142 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8815 -0.5345 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4885 0.0062 2.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 -2.4347 2.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0477 -2.6830 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3111 -2.2305 1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -1.8153 3.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0779 -4.1945 3.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6277 -4.4760 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9704 -4.0773 2.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7848 -4.7935 4.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -5.9428 5.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8182 -4.6540 5.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -4.3351 7.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0325 -2.6661 8.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8628 -1.4126 6.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6789 -2.5770 5.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6232 -2.2771 7.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6827 -3.8500 6.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3231 -2.3323 5.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2074 -2.7827 4.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0544 -0.4760 4.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3791 -0.2002 6.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7433 -1.2170 3.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6517 0.5108 4.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4270 -0.1797 3.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4311 2.2849 -9.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 1.2075 -9.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 3.1586 -9.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1471 2.6981 -10.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6624 4.7045 -10.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2556 5.0268 -10.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5229 5.2434 -7.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1614 5.5957 -8.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 6.7999 -9.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 7.0336 -10.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5946 8.9418 -8.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1392 8.0795 -8.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2929 6.9501 -6.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 8.6968 -6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2387 6.9167 -6.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2518 8.6877 -6.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7771 8.6098 -4.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 6.8020 -4.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5921 6.6620 -4.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 8.4294 -4.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 6.7107 -2.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1639 8.4779 -2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2892 6.3376 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4025 7.4421 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 9.4258 -1.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3402 8.3449 -2.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5076 7.2680 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 9.0452 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 9.2933 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7381 7.5575 0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2034 8.2533 2.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3978 8.8895 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0706 6.6862 2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8079 6.6186 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 5.6826 0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7948 4.6561 1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0742 6.7065 3.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4198 5.7640 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8596 4.7591 2.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2575 4.7624 4.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 3.4040 3.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 2.9050 2.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9575 2.6267 3.8423 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 1 0 29 30 2 0 29 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 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 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 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 12 94 1 0 13 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 15100 1 0 16101 1 0 16102 1 0 17103 1 0 17104 1 0 18105 1 0 18106 1 0 19107 1 0 19108 1 0 20109 1 0 20110 1 0 21111 1 0 21112 1 0 25113 1 0 25114 1 0 26115 1 6 27116 1 0 27117 1 0 31118 1 0 31119 1 0 32120 1 0 32121 1 0 33122 1 0 33123 1 0 34124 1 0 34125 1 0 35126 1 0 35127 1 0 36128 1 0 36129 1 0 37130 1 0 37131 1 0 38132 1 0 38133 1 0 39134 1 0 39135 1 0 40136 1 0 41137 1 0 42138 1 0 42139 1 0 43140 1 0 44141 1 0 45142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 48148 1 0 48149 1 0 49150 1 0 49151 1 0 49152 1 0 53153 1 0 53154 1 0 54155 1 0 54156 1 0 55157 1 0 55158 1 0 56159 1 0 56160 1 0 57161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 59166 1 0 60167 1 0 60168 1 0 61169 1 0 61170 1 0 62171 1 0 62172 1 0 63173 1 0 63174 1 0 64175 1 0 64176 1 0 65177 1 0 65178 1 0 66179 1 0 66180 1 0 67181 1 0 67182 1 0 68183 1 0 68184 1 0 69185 1 0 69186 1 0 70187 1 0 70188 1 0 71189 1 0 71190 1 0 72191 1 0 72192 1 0 73193 1 0 73194 1 0 73195 1 0 M END