HMDB0047668 RDKit 3D TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) 197196 0 0 0 0 0 0 0 0999 V2000 -3.1464 0.5739 -9.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 0.1815 -8.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1724 0.8469 -6.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3474 1.7057 -6.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0941 2.1098 -7.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0979 1.7910 -6.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0732 0.9659 -6.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 0.2432 -7.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1172 -1.1917 -8.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 -2.1119 -7.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 -1.8536 -5.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 -2.5631 -5.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 -3.4853 -4.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 -3.9503 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 -5.4169 -3.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 -6.2061 -2.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7697 -5.7187 -1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5319 -6.3400 -0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2227 -5.8313 0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 -4.3554 0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4103 -3.8079 1.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -2.3311 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 -1.7605 2.3745 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 -1.5410 0.9804 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0318 -0.2050 0.6833 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2590 0.0628 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -0.3820 -1.1022 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6246 0.2954 -0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4033 1.3111 0.1819 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0201 -0.0244 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3911 -1.4362 -1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9361 -1.3859 -1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4112 -0.5400 -2.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9507 -0.3511 -2.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2510 0.3259 -1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6973 1.5462 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9361 2.3528 -2.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9262 3.4342 -2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1722 4.6635 -2.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5075 5.2908 -2.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4732 6.0489 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4726 7.3495 -0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4995 8.2031 -1.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2846 8.9494 -2.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1636 8.9635 -1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7079 8.3032 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6603 7.2759 -0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3266 7.4528 -0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 7.6552 -2.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7623 7.7540 -2.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 0.6516 1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 0.7071 2.5076 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4925 1.4333 3.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 1.9388 2.1415 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6283 1.4536 4.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 1.5873 5.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8305 2.7226 5.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4242 3.0567 3.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1521 1.8657 3.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 2.1064 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3630 0.8572 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 -0.2905 1.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9769 -1.5916 0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8865 -2.6517 0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2693 -3.9680 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1785 -5.0004 0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0273 -5.0980 2.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 -5.5103 2.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2876 -5.5214 4.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2329 -6.3598 4.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3712 -6.3306 6.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -4.9605 6.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 -4.2947 6.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8741 -5.0808 7.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5262 -4.4182 7.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2081 -4.2686 5.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1593 -3.5976 5.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0174 -0.0877 -9.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4907 1.6192 -8.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 0.5689 -10.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1331 -0.9346 -8.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 0.3742 -8.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0786 0.6233 -6.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5303 2.1912 -5.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 1.8792 -8.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1468 3.2739 -7.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1776 2.2924 -5.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9479 0.8411 -5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1089 0.6194 -8.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3816 0.6711 -8.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 -1.5761 -9.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0362 -3.1934 -7.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5732 -0.7919 -5.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6844 -2.0809 -5.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3877 -2.2690 -5.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -3.9155 -4.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6452 -3.4893 -4.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7153 -3.5987 -2.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1051 -5.7527 -4.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -7.2940 -2.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 -4.6886 -1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 -6.2590 -0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 -7.4488 -0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 -6.2285 -1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7377 -6.3151 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -6.0761 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7123 -3.7694 0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -4.2572 -0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3117 -4.3039 2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 -3.9053 2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8564 0.2061 1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5159 -0.3414 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2498 1.1677 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6603 0.1968 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 0.6264 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9914 -1.7228 -2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1408 -2.1494 -0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2872 -1.1296 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2174 -2.4754 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3014 -1.1617 -3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9263 0.3957 -2.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3892 -0.0122 -3.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3052 -1.4189 -2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0856 -0.2409 -0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8882 1.9465 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8860 1.7907 -3.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9836 2.7004 -2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8360 3.1052 -2.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3512 5.4354 -2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6337 5.9449 -2.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3587 4.5692 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4511 5.4905 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5201 7.8173 0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8466 7.6779 -2.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3753 8.9830 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3404 9.6142 -3.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4179 9.6922 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2121 9.1692 0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4874 8.0093 0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0332 6.2589 -0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4726 7.0644 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6869 8.1948 -0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7591 6.4739 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5957 6.7204 -2.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6957 8.5655 -2.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7768 7.9278 -3.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 8.5987 -2.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2858 6.7646 -2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 1.7243 0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 0.4172 0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9639 2.3053 4.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0357 0.5629 4.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 0.6034 5.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 1.4996 6.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2904 3.6613 5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6190 2.6009 5.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2780 3.8025 3.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7799 3.6201 3.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9880 1.6178 3.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4839 1.0010 3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 2.9014 1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8952 2.4391 1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6819 1.1081 0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2459 0.5903 1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 -0.0232 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0285 -0.5423 2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8936 -1.8369 1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1979 -1.4607 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 -2.7018 1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9549 -2.2998 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -3.8317 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2361 -4.3788 0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5041 -5.9753 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2206 -4.7043 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2682 -5.9027 2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -4.1747 2.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 -6.5406 2.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1481 -4.8051 2.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3073 -5.7478 4.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0754 -4.4563 4.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2429 -7.4256 4.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2172 -5.9876 4.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3536 -6.8278 6.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5926 -7.0043 6.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1304 -4.3105 6.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4788 -5.0502 8.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8616 -4.2318 5.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9885 -3.2293 6.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 -5.3070 8.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 -6.0679 6.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7478 -5.0375 7.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 -3.4058 7.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 -3.6782 5.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1512 -5.2765 5.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9151 -4.3903 5.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 -2.8955 4.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 -3.0748 6.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 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 2 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 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 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 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 1 78 1 0 1 79 1 0 1 80 1 0 2 81 1 0 2 82 1 0 3 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 18104 1 0 19105 1 0 19106 1 0 20107 1 0 20108 1 0 21109 1 0 21110 1 0 25111 1 1 26112 1 0 26113 1 0 30114 1 0 30115 1 0 31116 1 0 31117 1 0 32118 1 0 32119 1 0 33120 1 0 33121 1 0 34122 1 0 34123 1 0 35124 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 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 50146 1 0 50147 1 0 50148 1 0 51149 1 0 51150 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 60162 1 0 61163 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 70181 1 0 70182 1 0 71183 1 0 71184 1 0 72185 1 0 72186 1 0 73187 1 0 73188 1 0 74189 1 0 74190 1 0 75191 1 0 75192 1 0 76193 1 0 76194 1 0 77195 1 0 77196 1 0 77197 1 0 M END