HMDB0054954 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z)) 189188 0 0 0 0 0 0 0 0999 V2000 -0.8702 5.7718 -3.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1274 4.9489 -4.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2607 5.4299 -4.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3015 4.6841 -4.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 3.2440 -4.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 2.4879 -5.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 1.7774 -5.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 1.5802 -3.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7572 0.1409 -3.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2866 -0.3739 -2.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6086 0.3712 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 0.1216 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -0.4714 0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8479 -1.0333 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9361 -2.4941 1.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 -3.0062 2.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3411 -2.1637 3.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9893 -2.6391 4.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5659 -1.8041 5.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3423 -0.3776 5.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 0.4327 6.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3549 1.8240 5.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 2.6700 6.6672 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 2.1860 4.6147 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 3.4399 4.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0695 3.5104 2.5950 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5352 3.5826 2.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2485 2.5489 3.0621 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6483 2.4950 2.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1376 3.3936 2.1389 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5743 1.5577 3.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9937 1.7574 2.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9732 0.9342 3.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7739 0.0538 3.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0356 -0.4896 1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0048 -1.9559 1.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4286 -2.8794 1.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4887 -2.7291 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2926 -3.5027 -0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9422 -4.6390 -1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7728 -5.4007 -0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0842 -6.0669 -2.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9133 -6.0430 -2.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6498 -5.3560 -2.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 -4.8312 -3.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6842 -3.6712 -3.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6755 -2.4028 -2.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 -2.0576 -2.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1533 -0.7895 -2.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2992 0.4706 -2.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 1.6785 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5321 4.6935 2.0246 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 4.5716 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 3.3727 0.6338 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1587 5.7262 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1605 5.1463 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2129 4.2916 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0994 3.6967 -0.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1743 2.7777 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9873 2.2014 -1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0459 1.2679 -1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8727 0.7229 -2.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0970 -0.0536 -3.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5207 -1.3868 -2.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6267 -2.3523 -2.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1974 -3.7140 -2.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3517 -4.2343 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7949 -4.1473 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8053 -2.8927 1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3894 -2.4096 1.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4965 -1.1558 2.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0919 -0.7891 2.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1657 -0.5865 1.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7869 -0.2359 2.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 -0.0504 0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 5.3462 -3.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 6.7990 -4.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3699 5.6697 -2.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2807 3.9105 -4.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 5.1551 -5.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 6.4714 -5.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3044 5.1219 -4.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 2.9250 -4.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 3.1990 -3.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5355 2.5833 -6.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4911 1.2578 -5.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8052 1.8880 -3.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2506 2.1562 -3.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 -0.5003 -4.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 -1.4859 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5706 0.1096 -1.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6563 1.4525 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5354 0.5329 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 -0.6217 1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 -0.4276 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2137 -0.9495 0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -3.1138 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7796 -4.1170 2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0386 -2.4461 4.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3741 -1.0956 3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1615 -3.6673 4.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -2.6957 3.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 -2.2317 5.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 -1.8978 6.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2317 0.1336 4.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5299 -0.3078 4.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0395 0.0211 6.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7051 0.4626 7.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4436 3.6256 4.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1443 4.2250 4.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 2.6553 2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9369 4.5726 2.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7519 3.4523 1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6973 1.9062 4.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2883 0.5228 3.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2368 2.8611 2.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9506 1.5329 1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0301 1.1034 4.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4380 -0.4243 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3912 -0.0862 1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0881 -0.2024 1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6843 -2.3198 2.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5668 -3.9628 1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5074 -1.7060 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5543 -3.1429 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2182 -2.9972 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 -5.1207 -2.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 -6.1955 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9923 -4.6886 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8213 -6.7668 -2.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7517 -6.7493 -3.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7902 -4.5854 -1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -6.1751 -1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9751 -5.6664 -4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2807 -3.5822 -4.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1033 -1.6411 -3.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 -2.4631 -1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 -2.0693 -3.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.8868 -2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1811 -0.7604 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2649 -0.7377 -2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3506 0.4725 -3.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2949 0.5378 -3.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 2.3890 -2.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 1.4745 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8038 2.3093 -1.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7468 6.2618 1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 6.4255 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6996 4.6536 -1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7187 6.0394 -1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8693 3.6032 0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8906 5.0169 0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 3.1209 -1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5913 4.5300 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8366 3.4317 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7193 2.0684 0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4209 3.0550 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 1.5893 -2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5589 0.4413 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6568 1.8352 -0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2865 1.6209 -2.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7223 0.2046 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7219 -0.2955 -4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2353 0.5117 -3.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8354 -1.2757 -1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9366 -1.8175 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2275 -2.0020 -1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3126 -2.3610 -3.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6294 -4.0588 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1121 -4.4409 -2.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1900 -5.3457 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3085 -3.8309 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1629 -4.8830 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8292 -4.6197 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2460 -3.1149 2.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3572 -2.0458 0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8937 -2.0836 0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7606 -3.1843 1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8634 -0.3436 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1634 -1.2998 3.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1856 0.1874 3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7232 -1.5210 3.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4252 0.2227 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0194 -1.5122 0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3962 -1.0944 2.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8014 0.6383 2.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5324 -1.0347 0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9226 0.5147 1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3794 0.5024 0.1459 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 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 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 34119 1 0 35120 1 0 35121 1 0 36122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 51146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 68173 1 0 68174 1 0 69175 1 0 69176 1 0 70177 1 0 70178 1 0 71179 1 0 71180 1 0 72181 1 0 72182 1 0 73183 1 0 73184 1 0 74185 1 0 74186 1 0 75187 1 0 75188 1 0 75189 1 0 M END