HMDB0047538 RDKit 3D TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)) 197196 0 0 0 0 0 0 0 0999 V2000 7.8357 -3.9026 8.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0509 -3.5166 9.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6466 -2.1086 9.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2828 -1.6786 9.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0979 -2.2725 10.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -3.6712 10.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -4.0628 9.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6271 -3.1503 9.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3574 -3.5479 9.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 -3.9591 8.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3423 -4.0579 7.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1021 -5.4742 7.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8795 -5.8348 6.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8593 -4.9143 5.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 -5.3283 6.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1469 -5.6544 5.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8416 -5.6430 3.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0655 -6.9382 3.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9005 -7.0015 2.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6817 -5.8514 1.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1627 -5.5706 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8196 -4.3922 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9991 -4.1065 -0.1991 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1785 -3.6014 -1.4166 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6978 -2.4518 -2.0816 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5156 -2.4603 -3.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2325 -2.5721 -4.0298 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4267 -3.6479 -3.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8438 -4.6496 -3.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0164 -3.7379 -4.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 -2.7137 -5.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 -2.8295 -6.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1265 -1.6913 -7.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 -1.5917 -7.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -0.4326 -8.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9379 0.8470 -8.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5484 2.0116 -9.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 3.2702 -8.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 4.4547 -9.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2338 5.5447 -8.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 5.6285 -7.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 6.6720 -6.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5058 8.0816 -7.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 9.0058 -6.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0938 8.9184 -4.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 9.8285 -4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4783 9.4745 -4.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3631 10.4038 -3.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2321 -1.2152 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9069 -0.9431 -1.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0318 -0.3390 -2.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 0.1249 -3.1786 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 -0.2484 -1.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9117 0.9416 -2.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5357 2.2377 -1.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3685 2.3673 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0454 3.6210 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 3.7641 1.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4108 2.5476 2.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5085 2.6284 3.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9692 1.2779 4.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9199 0.1976 4.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 0.5314 5.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -0.3719 5.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2444 -0.3638 4.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8602 1.0378 3.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8408 1.1463 2.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2791 0.8404 1.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4094 0.9783 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9775 0.7307 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -0.6156 -1.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2654 -1.7704 -0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 -3.0746 -1.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 -4.2660 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 -4.2628 0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6265 -3.0070 7.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 -4.5505 8.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6589 -4.5214 7.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2054 -3.5780 9.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6220 -4.2794 10.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3379 -1.4728 9.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9945 -1.7997 10.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1695 -1.7158 8.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 -0.5515 9.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2862 -2.1877 11.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2629 -1.5545 10.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4466 -4.4691 10.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 -5.1545 9.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7701 -2.0835 9.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6809 -3.2053 7.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2874 -3.4964 10.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5775 -4.2273 9.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3564 -3.8184 7.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 -3.3323 7.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -6.2619 7.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9794 -6.9145 6.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6153 -4.7246 4.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7913 -3.8722 6.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5005 -5.3496 7.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1401 -5.9380 5.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2389 -4.7775 3.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7061 -5.5309 3.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5382 -7.8548 3.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0632 -7.9528 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7487 -6.2125 1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7394 -5.0287 2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -5.4484 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4170 -6.4614 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8147 -2.4473 -1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9207 -1.4736 -3.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2258 -3.2045 -3.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8551 -4.7839 -4.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -3.5407 -3.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0122 -1.7186 -4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 -2.6922 -5.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4324 -3.8050 -7.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5726 -2.6641 -6.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 -0.7474 -7.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7499 -1.8046 -8.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3821 -2.5222 -8.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -1.5689 -7.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -0.3423 -9.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8048 -0.6646 -9.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0465 0.7821 -8.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 0.9672 -7.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 2.1029 -9.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 1.8245 -10.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 3.0779 -8.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9615 3.3038 -7.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0234 4.5002 -10.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0133 6.3751 -9.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 5.9604 -7.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 4.6621 -7.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 6.3908 -6.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 6.6145 -5.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 8.4371 -7.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 8.2876 -8.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1459 10.0354 -6.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4521 8.8225 -6.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2692 7.9002 -4.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0664 9.1814 -4.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7935 9.7513 -3.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9044 10.8884 -4.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 9.6208 -5.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 8.4305 -3.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9882 9.8178 -2.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0672 10.9730 -4.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 11.1242 -2.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6697 -1.3478 -0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8008 -0.3150 -1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0537 -1.1471 -2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 -0.3330 -0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 0.9509 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 0.8361 -3.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0603 3.1037 -2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 2.2068 -2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2898 2.4366 -0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8757 1.4876 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 4.4863 -0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1239 3.6586 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5073 4.6560 1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8589 3.9823 1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 1.6484 2.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 2.3244 1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3259 3.3372 4.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6123 2.9877 4.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2001 1.3787 5.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8702 0.9874 3.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5974 0.0073 3.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4143 -0.7437 4.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4783 1.5591 5.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 0.5377 6.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0591 -1.4397 5.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 -0.0659 6.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 -1.0969 4.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 -0.5518 3.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 1.7951 3.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3941 1.1851 4.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2047 2.2076 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7382 0.5302 3.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8762 -0.1753 1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4661 1.5662 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 0.2972 0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8047 2.0282 0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 0.8448 -1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 1.5145 -1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 -0.6821 -0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2009 -0.6723 -2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1967 -1.7607 -1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 -1.6610 0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3511 -3.1121 -2.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6176 -3.0769 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 -4.2073 -1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 -5.2169 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7479 -5.2796 1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 -3.8602 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0495 -3.6587 1.2548 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 2 0 40 41 1 0 41 42 1 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 25 49 1 0 49 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 3 82 1 0 4 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 19104 1 0 20105 1 0 20106 1 0 21107 1 0 21108 1 0 25109 1 6 26110 1 0 26111 1 0 30112 1 0 30113 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 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 46142 1 0 46143 1 0 47144 1 0 47145 1 0 48146 1 0 48147 1 0 48148 1 0 49149 1 0 49150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 60166 1 0 61167 1 0 61168 1 0 62169 1 0 62170 1 0 63171 1 0 63172 1 0 64173 1 0 64174 1 0 65175 1 0 65176 1 0 66177 1 0 66178 1 0 67179 1 0 67180 1 0 68181 1 0 68182 1 0 69183 1 0 69184 1 0 70185 1 0 70186 1 0 71187 1 0 71188 1 0 72189 1 0 72190 1 0 73191 1 0 73192 1 0 74193 1 0 74194 1 0 75195 1 0 75196 1 0 75197 1 0 M END