HMDB0045856 RDKit 3D TG(20:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z)) 193192 0 0 0 0 0 0 0 0999 V2000 -1.4200 -5.0410 3.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -5.2430 2.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9647 -5.2378 0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1439 -5.4531 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 -5.4677 -1.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6964 -5.7104 -2.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -6.8171 -3.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2004 -7.8744 -3.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7814 -8.3681 -4.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -8.1374 -5.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -7.1525 -6.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 -6.4604 -7.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -5.2285 -7.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4069 -4.0182 -6.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 -3.2475 -6.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0359 -2.8704 -5.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3207 -3.1362 -4.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9442 -1.8264 -3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1502 -1.0401 -3.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 0.2516 -2.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 0.5934 -2.4193 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7413 1.0547 -1.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5369 2.2785 -1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9074 2.7414 -0.9044 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9682 4.1585 -0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 4.9927 -1.4129 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3761 5.0436 -2.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1499 4.2576 -3.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 5.9939 -3.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 5.4760 -4.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 4.3121 -4.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 3.7777 -6.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0752 2.7275 -6.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 3.2775 -5.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4754 2.2653 -6.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 1.0322 -5.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 1.2820 -3.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6328 -0.0710 -3.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7555 0.0861 -1.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9227 -1.3122 -0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 -1.1683 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3007 -2.4812 1.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4646 -2.2511 2.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7152 -3.5571 3.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -3.4029 4.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1563 -4.7862 5.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 -4.7897 6.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 1.8710 -0.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5952 1.0753 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1832 1.1228 -1.2958 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0798 0.1460 0.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4616 0.5172 2.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9287 1.7734 2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2168 2.2849 3.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9090 1.4291 5.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8764 0.3586 4.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 1.0012 4.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5205 0.0565 3.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 0.8183 3.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 1.4896 4.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1456 2.4208 5.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4014 2.9714 6.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 3.9558 5.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4242 4.2041 6.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6466 4.0900 5.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2489 3.7228 4.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4705 3.6274 3.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9775 5.0004 2.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 5.0177 1.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 4.5248 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1222 4.6795 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8166 4.0421 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7121 4.4999 -0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 -5.5389 4.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 -3.9889 3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -5.6546 2.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3637 -4.3946 2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 -6.1803 2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 -4.3133 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6803 -6.0900 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9404 -4.7078 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5744 -6.4523 -0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3214 -6.0551 -1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -4.3672 -1.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5187 -4.9656 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7139 -6.8734 -3.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0539 -7.6678 -2.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3185 -8.7807 -2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5709 -9.2177 -4.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3147 -8.7555 -6.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0454 -7.6571 -6.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 -6.3744 -5.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0773 -7.2098 -8.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4786 -4.9843 -8.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1937 -4.2750 -6.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1681 -3.3949 -7.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2845 -2.9730 -7.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0017 -2.3019 -5.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0515 -3.6294 -3.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4222 -3.7092 -4.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3319 -1.1997 -4.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 -2.0999 -2.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7955 -1.6187 -2.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7831 -0.8054 -4.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 2.1122 -0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 3.0219 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5449 2.6249 -1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 4.3684 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0195 4.5418 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2669 6.8894 -3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6944 6.3456 -3.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8347 6.2697 -5.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2349 5.1725 -5.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 4.6817 -4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8117 3.5435 -4.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 3.4529 -6.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6326 4.6284 -6.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1973 1.9071 -5.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1773 2.3170 -7.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 3.6166 -4.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7039 4.1425 -6.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5563 1.9199 -7.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5047 2.7151 -5.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5832 0.3815 -5.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3529 0.4284 -5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6962 1.8790 -3.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4869 1.8135 -3.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7778 -0.6997 -3.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5656 -0.5723 -3.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6339 0.6917 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8612 0.5776 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -1.8847 -1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8504 -1.7268 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2574 -0.5849 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0194 -0.5585 0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2668 -2.9220 0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5299 -3.2321 1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2802 -1.5286 2.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5437 -1.7457 3.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6638 -3.9800 3.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 -4.2443 3.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0052 -2.9903 5.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -2.7728 5.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -5.4829 5.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0742 -5.2315 5.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1933 -5.4626 7.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -5.1605 7.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 -3.7525 7.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 0.1222 0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 -0.8606 0.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8376 -0.3217 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3816 0.4480 2.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0106 1.5754 3.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1272 2.5758 1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 2.8890 3.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9334 3.0982 4.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5185 2.0183 5.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 0.9091 5.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6178 -0.0365 5.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2346 -0.4690 4.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 1.7302 5.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8697 1.6452 3.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3269 -0.7675 4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9151 -0.4683 2.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6775 1.5087 2.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3309 0.0950 2.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3254 2.0377 3.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2642 0.7236 4.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4063 1.9609 6.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 3.3020 5.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 2.1074 6.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 3.3957 7.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 3.6781 4.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5486 4.9120 5.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2345 4.5429 7.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3902 4.3436 6.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 2.8210 4.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0304 4.5432 4.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2247 3.3830 2.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 2.8097 3.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8985 5.6500 2.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 5.5543 3.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2485 4.3890 1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8645 6.0664 1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2098 3.4430 0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8265 5.1498 0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8202 4.3633 -1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 5.8032 -1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 4.1918 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8622 2.9146 -1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2369 4.6487 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 5.4910 0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 3.7418 0.4525 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 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 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 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 2 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 18102 1 0 19103 1 0 19104 1 0 23105 1 0 23106 1 0 24107 1 6 25108 1 0 25109 1 0 29110 1 0 29111 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 39131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 42137 1 0 43138 1 0 43139 1 0 44140 1 0 44141 1 0 45142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 47148 1 0 51149 1 0 51150 1 0 52151 1 0 52152 1 0 53153 1 0 53154 1 0 54155 1 0 54156 1 0 55157 1 0 55158 1 0 56159 1 0 56160 1 0 57161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 59166 1 0 60167 1 0 60168 1 0 61169 1 0 61170 1 0 62171 1 0 62172 1 0 63173 1 0 63174 1 0 64175 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 73193 1 0 M END