HMDB0054532 RDKit 3D TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) 183182 0 0 0 0 0 0 0 0999 V2000 -5.5986 -0.6743 -3.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5691 0.7436 -4.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9479 1.2502 -4.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0989 2.5919 -5.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6306 3.8068 -4.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2221 3.7457 -4.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 3.8748 -3.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6189 4.1108 -1.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0644 5.3786 -1.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5326 5.4981 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4321 4.3692 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0923 4.9309 1.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 4.9913 3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 4.5142 3.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9308 5.5248 3.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 5.6467 4.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8002 4.8390 5.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5477 4.1264 5.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6655 5.0509 4.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 4.3083 4.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0906 5.1713 4.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6697 5.3270 2.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 6.3312 2.5544 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 4.3464 1.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 4.3972 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1977 3.1387 -0.1251 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6936 3.3318 -1.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8241 2.5563 -2.5618 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8645 2.0055 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0142 2.2193 -2.7491 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7401 1.2584 -4.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -0.1674 -4.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2394 -0.4509 -6.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -1.7751 -6.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 -2.0943 -5.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -3.3301 -6.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 -3.6102 -5.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7377 -4.1224 -4.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 -4.3378 -3.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0239 -2.9831 -3.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 -2.1088 -2.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1085 -0.8282 -2.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -0.4315 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 -1.2300 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 -2.6294 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3763 -3.2498 -0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 -2.6813 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 -3.3386 0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9803 -2.8711 0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6539 -3.1874 -0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6541 -4.6526 -0.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 2.0082 0.6009 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7831 1.4803 1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9132 2.1402 1.4921 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 0.3244 2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 0.4078 3.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4162 0.5715 3.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6492 0.6452 4.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 -0.2518 4.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 -1.4357 4.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 -2.6193 4.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1434 -3.5137 5.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5426 -3.4748 4.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 -4.7343 3.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5197 -5.6404 4.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5623 -5.5737 5.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8664 -5.7129 4.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8138 -4.8417 4.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7460 -3.5696 5.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9657 -2.4537 4.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9545 -2.4151 3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2376 -1.2527 2.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1776 0.0350 2.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2492 -0.6479 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 -1.3616 -4.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5406 -0.9812 -3.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1209 0.5804 -5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8964 1.3593 -4.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5953 1.1037 -3.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4307 0.5283 -5.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5148 2.5516 -6.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1696 2.7569 -5.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3344 4.0441 -3.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7368 4.6547 -5.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4431 3.5858 -5.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 3.8173 -2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6494 4.3042 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4641 3.2160 -1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1469 6.2327 -2.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 6.4477 0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3826 4.1511 0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9774 3.4722 0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1056 5.2445 1.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7761 5.4065 4.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7501 3.6465 2.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9075 3.9657 4.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 6.2791 2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3117 6.5095 3.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7758 5.5040 6.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5567 4.0767 5.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7437 3.6398 6.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5396 3.3245 4.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7673 5.8863 5.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4211 5.4540 3.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2776 4.1290 6.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9674 3.3421 4.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0296 4.6316 4.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1549 6.1426 4.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 5.2928 0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4862 4.1805 0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2698 3.3655 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9741 4.4452 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5356 3.5082 -1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1789 1.8422 -5.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7984 1.2557 -4.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1580 -0.7966 -4.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3615 -0.4039 -4.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2489 -0.2578 -6.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 0.3633 -6.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8065 -1.8874 -7.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5303 -2.5322 -6.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 -1.2468 -6.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 -2.2088 -4.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -4.2092 -6.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6023 -3.1943 -7.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -2.7310 -5.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 -4.3872 -6.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1512 -5.1913 -4.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6435 -3.6616 -4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -4.8934 -2.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1816 -4.8978 -4.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 -2.6034 -4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6687 -3.2011 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5452 -1.7558 -3.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9343 -2.7422 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 -0.0703 -2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 0.6210 -0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 -1.0770 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -0.6779 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 -3.2858 -0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 -4.3748 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6938 -1.5944 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 -2.9354 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5171 -4.4347 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 -3.0329 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0898 -1.8029 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5513 -3.3948 1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -2.5494 -1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7247 -2.8814 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1596 -4.7675 -1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2520 -5.1831 -0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 -5.0677 -0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7334 0.0001 2.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3258 -0.5598 1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1265 -0.5231 4.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3027 1.2292 4.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 1.6403 2.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 -0.0362 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 1.4737 5.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1843 -0.1963 5.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4639 -1.3879 3.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2493 -1.5428 3.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7418 -2.7606 5.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0472 -4.3958 5.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7551 -2.5923 4.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1897 -3.4479 5.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8636 -4.8377 3.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5345 -6.5614 3.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -6.5216 5.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4712 -4.7472 5.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0357 -6.6457 3.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7703 -5.0410 3.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6711 -3.5237 5.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9171 -3.3899 5.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9531 -1.4641 4.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9932 -2.5834 3.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9716 -3.3645 2.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9339 -2.2584 3.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1928 -1.3946 1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3924 -1.2183 1.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 0.8999 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3502 -0.0680 3.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 0.1779 3.4789 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 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 26 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 67 68 2 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 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 37127 1 0 38128 1 0 38129 1 0 39130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 51152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 72179 1 0 72180 1 0 73181 1 0 73182 1 0 73183 1 0 M END