HMDB0055568 RDKit 3D TG(20:4(8Z,11Z,14Z,17Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z)) 191190 0 0 0 0 0 0 0 0999 V2000 4.3022 2.8443 -3.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 3.1186 -4.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0321 4.4809 -4.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 4.7587 -4.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6943 3.7731 -5.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3326 3.8240 -4.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6813 2.8432 -3.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 1.4613 -3.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1748 0.6925 -4.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 -0.2110 -3.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9516 -0.9230 -2.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 -2.3753 -2.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4584 -3.3609 -2.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 -3.2368 -0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -3.8930 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8847 -4.9060 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 -5.5967 0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8662 -5.5764 2.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9941 -4.3675 3.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1996 -4.0054 3.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4979 -3.6639 3.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6282 -2.4109 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6444 -1.6911 2.2601 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 -2.0589 2.0425 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1325 -0.8830 1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6219 -0.7801 0.9147 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3888 -0.4773 2.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7559 0.6064 2.8604 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5243 1.8451 2.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9005 2.0914 1.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 2.9818 3.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 2.9662 3.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 1.9341 4.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2062 2.1503 5.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6983 1.2414 6.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1841 1.1684 6.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 0.3120 7.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7887 -0.7803 7.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 -1.3920 6.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8483 -1.4993 6.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8062 -0.9711 6.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5852 -0.1559 4.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3202 -0.9082 3.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 -0.4003 3.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7996 0.9635 3.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2154 0.9920 3.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6525 1.5373 4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8342 2.2114 5.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2890 3.6616 6.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9504 -1.8363 0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3332 -1.6482 -1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4953 -0.4956 -1.6784 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5102 -2.8346 -2.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2635 -2.2805 -3.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9425 -3.3343 -4.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6066 -2.7181 -5.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -3.6401 -6.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -4.1508 -6.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5561 -3.0204 -6.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 -3.6727 -6.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -2.9483 -6.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6046 -1.9249 -5.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -2.2637 -4.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 -1.1295 -3.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5423 -1.1666 -2.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0211 -1.2011 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 -0.0083 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 1.1845 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5036 2.3947 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3599 2.9799 -0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 4.2462 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 4.9222 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6673 6.1965 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7713 6.8671 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 8.1195 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 3.3723 -3.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7123 3.2317 -2.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4736 1.7759 -3.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8398 2.3284 -5.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3493 3.0487 -5.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 5.3151 -4.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4735 5.8426 -4.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 2.7882 -5.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1344 4.1681 -6.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8401 4.8179 -3.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4623 2.9604 -2.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8197 1.5267 -4.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 1.1622 -2.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 1.0101 -5.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6619 -0.6267 -4.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.6205 -1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 -0.6128 -1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4451 -2.6696 -3.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 -4.4159 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5598 -2.1977 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2823 -3.7210 0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2639 -3.5331 -1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8977 -5.3341 -0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9342 -5.4190 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 -6.7133 0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9232 -5.9522 1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 -6.4434 2.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8622 -4.4136 3.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2526 -3.4879 2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1554 -3.0776 4.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3081 -4.7457 4.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -3.5645 4.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -4.4890 2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4693 -0.7508 0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -0.0178 1.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6653 0.1410 0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4819 -1.3058 2.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4287 -0.1347 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1474 3.9306 2.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2988 3.1036 4.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9927 3.9645 3.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 2.8204 2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6811 2.1529 4.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 0.9021 3.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3381 2.1503 5.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9514 3.2079 5.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 1.6050 7.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 0.2021 6.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 0.9499 5.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1245 2.2158 6.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 0.6859 8.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -1.3317 8.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 -2.4816 6.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1191 -0.8611 5.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 -2.0996 7.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8593 -1.1258 6.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0157 0.8312 5.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 -0.1154 4.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9937 -1.9491 3.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8155 -0.9988 2.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8321 1.3841 2.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1655 1.6695 3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9741 0.5282 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7521 1.5255 5.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 2.2728 5.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8457 1.6853 6.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5322 4.1518 6.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2651 4.1016 5.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2712 3.6711 6.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5183 -3.2285 -2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7498 -3.5995 -1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3006 -1.8901 -3.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6465 -1.3894 -3.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8977 -3.9318 -4.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2299 -4.0430 -4.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0746 -1.7499 -5.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6101 -2.4243 -6.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -4.5416 -7.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9824 -3.1784 -7.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5522 -4.7535 -5.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2931 -4.7885 -7.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5527 -2.5996 -7.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8532 -2.2318 -5.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2903 -4.2748 -5.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 -4.5168 -7.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -2.4835 -7.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8482 -3.7483 -6.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0072 -0.9819 -5.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5832 -1.5767 -5.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0238 -2.3115 -3.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 -3.2608 -3.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2493 -0.2040 -3.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -1.0344 -4.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3454 -0.3073 -2.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 -2.0567 -2.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6608 -2.1671 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 -1.1335 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3207 0.2112 -0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -0.2881 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0185 0.9550 0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5931 1.3949 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 3.2363 0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1665 2.2141 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4796 2.2774 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5957 3.2043 -1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4969 3.9097 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7224 4.9459 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0947 5.2961 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 4.3473 -0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1263 5.8496 1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1842 6.8585 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4291 7.1080 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6272 6.1752 -0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6161 8.4118 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 8.9540 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 8.0589 0.4157 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 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 2 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 2 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 73 74 1 0 74 75 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 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 13 94 1 0 14 95 1 0 14 96 1 0 15 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 0 25110 1 0 26111 1 6 27112 1 0 27113 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 44135 1 0 45136 1 0 45137 1 0 46138 1 0 47139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 49144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 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 70179 1 0 70180 1 0 71181 1 0 71182 1 0 72183 1 0 72184 1 0 73185 1 0 73186 1 0 74187 1 0 74188 1 0 75189 1 0 75190 1 0 75191 1 0 M END