HMDB0046058 RDKit 3D TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) 191190 0 0 0 0 0 0 0 0999 V2000 6.5785 1.7134 6.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3443 0.2400 7.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 -0.6241 6.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4346 -0.4014 4.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1041 -0.6552 4.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5827 -2.0023 4.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3288 -2.8409 3.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 -2.5292 1.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4471 -3.6156 1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1272 -4.4719 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7715 -4.3799 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 -4.2162 -1.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 -4.9784 -2.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3221 -6.1010 -2.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 -7.3750 -2.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 -8.1262 -3.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4594 -7.6430 -3.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -7.4467 -4.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 -7.9835 -5.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -8.8498 -4.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 -8.2600 -4.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 -6.9230 -4.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -6.2968 -4.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 -6.2696 -3.5871 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3431 -4.9705 -3.0315 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5831 -4.1962 -4.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -2.8538 -3.8064 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 -2.1016 -4.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6445 -2.7746 -5.8451 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7396 -0.7009 -4.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4489 0.1776 -5.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 1.5983 -5.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 2.6458 -5.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0828 3.0417 -4.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 2.0230 -4.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2214 2.6539 -3.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7269 3.3235 -2.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8673 3.9503 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3655 4.6095 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 5.6884 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9179 6.6849 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0535 7.9502 -0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 8.5927 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6528 9.6717 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3825 9.2350 -0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5492 8.2964 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1795 8.9615 1.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6627 8.0540 2.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0157 8.7406 3.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 10.0117 3.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 -4.8036 -1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 -5.4486 -0.6079 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5116 -5.2006 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1839 -4.2942 -0.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1022 -5.8668 1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3928 -5.5508 2.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 -6.1538 3.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3775 -5.7183 4.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5917 -4.3928 4.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2484 -3.1319 3.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9048 -2.8589 2.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5775 -1.5659 1.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 -1.1244 1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1326 -0.9435 2.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 -0.3713 1.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 0.9546 1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1206 1.5110 0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 1.7663 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8134 2.7994 2.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 3.0031 3.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6358 4.0521 4.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4337 3.7283 5.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1768 4.8426 6.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0407 2.1762 6.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6763 1.8784 6.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1821 2.1921 7.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3793 -0.0333 8.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -0.0202 6.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 -1.6784 6.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3751 -0.3959 6.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6901 0.6559 4.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2306 -1.0286 4.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 -0.3119 3.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 0.0424 4.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3623 -2.4038 5.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9252 -3.8655 3.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1682 -1.6039 1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5841 -2.4293 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4169 -3.6756 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8423 -5.2268 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3385 -5.4057 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 -3.6843 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 -3.3979 -2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2941 -4.7711 -3.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3141 -5.7818 -2.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1364 -6.1356 -0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -7.7313 -2.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1471 -9.0538 -3.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8681 -8.6259 -3.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 -6.9642 -2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6595 -6.8066 -5.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -7.7707 -6.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0318 -9.7945 -5.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7609 -9.2325 -3.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6413 -8.2315 -5.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1078 -8.9718 -4.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -4.5130 -3.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2399 -4.1944 -4.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3895 -4.6846 -4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1335 -0.3616 -3.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -0.4520 -5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 -0.0218 -4.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7678 -0.1383 -6.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8614 1.6257 -5.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4859 1.7845 -4.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4122 2.3546 -6.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 3.5821 -5.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6003 3.4886 -3.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6054 3.9783 -5.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5463 1.3149 -3.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 1.4784 -5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7531 3.3424 -4.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8716 1.8100 -3.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0279 4.1323 -2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1757 2.6393 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5927 3.1671 -1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4675 4.6477 -2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9585 3.8203 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 5.1066 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0336 6.1172 0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4537 5.1892 -0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2653 6.3108 -2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5314 8.5671 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3046 7.9369 1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5383 9.1440 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 10.2879 0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1505 10.3677 -0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5382 8.8253 -1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 10.1433 -0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0283 7.3236 0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 8.1805 -0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0937 9.2940 2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4234 9.8640 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1082 7.1174 2.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 7.7953 1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 8.0546 4.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1321 8.9725 4.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0586 10.8447 3.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 10.1978 4.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 9.8956 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -4.8870 -1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8711 -3.6888 -1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 -6.9836 0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2016 -5.8260 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -4.4871 2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3868 -6.0749 2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 -7.2818 3.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3416 -5.9483 4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7029 -6.4630 4.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1701 -5.8818 3.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7146 -4.3176 4.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1856 -4.3793 5.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5994 -2.3127 4.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 -2.9351 3.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6259 -3.6477 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0318 -3.0160 2.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0465 -0.7135 2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 -1.5092 1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4071 -0.1077 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9446 -1.7629 0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7377 -1.9629 2.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2984 -0.3217 3.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5175 -1.0529 0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0629 -0.2672 2.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 1.6615 1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8747 0.8562 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1042 2.4546 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5139 0.7172 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5556 0.8290 1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0798 2.1700 0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 3.7591 1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1085 2.4796 3.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2817 2.0990 3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8394 3.3665 2.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5159 4.1851 5.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 5.0313 3.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 2.7913 5.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 3.6647 4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2091 5.7950 5.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0269 4.8482 7.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 4.6721 6.8253 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 2 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 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 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 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 1 26108 1 0 26109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 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 44137 1 0 45138 1 0 45139 1 0 46140 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 50150 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 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 66175 1 0 66176 1 0 67177 1 0 67178 1 0 68179 1 0 68180 1 0 69181 1 0 69182 1 0 70183 1 0 70184 1 0 71185 1 0 71186 1 0 72187 1 0 72188 1 0 73189 1 0 73190 1 0 73191 1 0 M END