HMDB0052245 RDKit 3D TG(24:1(15Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 199198 0 0 0 0 0 0 0 0999 V2000 12.2394 -1.9604 -1.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9838 -1.6414 -0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1529 -2.8501 -0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9076 -2.7573 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8368 -1.9073 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2037 -0.5575 -0.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1688 0.0476 -2.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7357 -0.5706 -3.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7152 0.1431 -4.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -0.2689 -4.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9513 -1.5617 -3.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6541 -1.2309 -3.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2656 -1.4825 -2.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -2.1971 -1.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3157 -1.2360 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 -1.4166 1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 -2.6551 1.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1349 -3.2507 2.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5598 -3.4002 3.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 -2.9840 4.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3318 -4.2123 4.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0882 -3.7462 4.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -4.6172 4.7571 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3766 -2.4259 4.7925 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6746 -1.9161 4.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 -0.3848 5.0891 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9218 0.2178 5.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 1.5690 5.7178 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 2.6159 4.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2033 2.4365 3.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 4.0043 5.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4674 4.8420 4.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 6.2375 5.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 7.0242 4.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 8.3886 4.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8503 9.2430 3.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6969 9.6593 2.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 8.6473 1.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6273 9.3532 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 10.1750 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 9.4343 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9492 8.4004 -1.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3069 7.6917 -1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4637 6.7054 -2.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6752 5.3933 -2.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7707 4.7939 -0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7985 3.7099 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8828 2.4284 -1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7379 2.3751 -2.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 2.9233 -3.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 2.8595 -4.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 3.3780 -5.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 4.7929 -4.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 0.1610 3.9707 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 0.6953 3.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9176 0.6622 5.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8501 1.2665 2.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0349 0.9565 1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 -0.5318 1.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7998 -0.8787 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7525 -2.4074 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4856 -2.8209 -1.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4345 -4.2785 -1.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9817 -5.2135 -0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -5.2164 -0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0722 -4.0395 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5929 -4.4475 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5768 -5.6579 1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1025 -6.7907 0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8506 -7.2080 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1987 -6.3579 -1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9316 -6.5072 -2.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1848 -7.6398 -3.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9595 -7.0924 -3.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2488 -8.3049 -4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9981 -7.9337 -5.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2241 -7.0254 -6.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9657 -2.4695 -2.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9337 -2.5607 -1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6889 -0.9942 -2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5790 -0.7502 -1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4031 -1.3764 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9393 -3.2253 -1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7889 -3.7207 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1468 -2.3344 0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5096 -3.8078 0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9961 -1.9433 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4951 -2.4986 -1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5536 0.0607 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4836 1.1206 -2.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6674 -0.5354 -3.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5446 -1.6643 -3.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0782 1.1673 -4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9127 0.4040 -4.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7218 -2.1074 -4.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6012 -2.2374 -3.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 -0.6923 -4.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 -1.1823 -1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7227 -3.1480 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1677 -2.3394 -1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 -0.2615 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1479 -0.5894 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2726 -2.6788 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -3.4412 0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1592 -3.5516 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0967 -3.8410 4.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1204 -2.3872 5.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6574 -2.4019 3.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6755 -4.6446 5.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3892 -4.9848 3.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2918 -2.1460 4.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1623 -2.3410 5.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8596 -0.2044 5.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -0.3460 6.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5405 0.1271 4.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 3.9696 6.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2956 4.4841 5.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0314 4.9209 3.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5086 4.3560 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 6.1832 6.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2038 6.7923 5.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5684 6.4948 3.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 7.1122 3.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 8.9472 4.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2445 8.2959 5.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0213 10.2228 4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9033 8.7619 3.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 10.4448 2.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 10.3070 2.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7199 8.1492 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 7.8549 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 8.5636 -0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5231 9.9952 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6002 11.0567 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5337 10.6534 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 8.9372 0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 10.1335 -0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 8.9467 -2.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1817 7.6370 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 8.5368 -1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5391 7.4008 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3969 7.0884 -3.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7767 4.8623 -2.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7942 4.2565 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 5.5249 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7406 4.1203 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9712 3.4964 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8925 1.9431 -0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 1.6640 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 1.2322 -2.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 2.6899 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6235 2.3017 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2706 3.9810 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1846 3.4593 -4.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 1.8260 -4.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7703 2.6814 -4.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 3.3295 -6.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0039 4.7751 -3.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 5.3623 -5.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6476 5.3759 -4.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8823 0.8650 2.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9331 2.3738 2.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0108 1.3103 1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 1.4754 0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3277 -1.0920 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0403 -0.8256 1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3462 -0.3876 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8398 -0.6120 0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2475 -2.7908 0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3007 -2.6796 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -2.3562 -1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -2.3530 -2.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 -4.5282 -1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8968 -4.5124 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 -5.1507 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7443 -6.2722 -0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6243 -6.1533 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9359 -5.4739 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0172 -3.0829 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7688 -4.0146 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8935 -4.4845 -0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1469 -3.5961 0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0209 -5.5497 2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9351 -7.5885 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8510 -7.7159 0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3661 -8.1526 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8333 -5.4392 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3029 -5.7071 -3.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 -8.1448 -3.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8713 -8.3967 -2.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2649 -6.5930 -3.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3395 -6.4997 -4.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9259 -8.9418 -4.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9137 -8.9120 -3.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2006 -7.5614 -4.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5989 -8.9027 -5.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 -6.4270 -6.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3377 -7.5677 -7.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 -6.2935 -6.2108 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 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 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 26 54 1 0 54 55 1 0 55 56 2 0 55 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 2 0 69 70 1 0 70 71 1 0 71 72 2 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 1 78 1 0 1 79 1 0 1 80 1 0 2 81 1 0 2 82 1 0 3 83 1 0 3 84 1 0 4 85 1 0 4 86 1 0 5 87 1 0 5 88 1 0 6 89 1 0 7 90 1 0 8 91 1 0 8 92 1 0 9 93 1 0 10 94 1 0 11 95 1 0 11 96 1 0 12 97 1 0 13 98 1 0 14 99 1 0 14100 1 0 15101 1 0 16102 1 0 17103 1 0 17104 1 0 18105 1 0 19106 1 0 20107 1 0 20108 1 0 21109 1 0 21110 1 0 25111 1 0 25112 1 0 26113 1 1 27114 1 0 27115 1 0 31116 1 0 31117 1 0 32118 1 0 32119 1 0 33120 1 0 33121 1 0 34122 1 0 34123 1 0 35124 1 0 35125 1 0 36126 1 0 36127 1 0 37128 1 0 37129 1 0 38130 1 0 38131 1 0 39132 1 0 39133 1 0 40134 1 0 40135 1 0 41136 1 0 41137 1 0 42138 1 0 42139 1 0 43140 1 0 43141 1 0 44142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 48148 1 0 48149 1 0 49150 1 0 49151 1 0 50152 1 0 50153 1 0 51154 1 0 51155 1 0 52156 1 0 52157 1 0 53158 1 0 53159 1 0 53160 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 64176 1 0 65177 1 0 65178 1 0 66179 1 0 66180 1 0 67181 1 0 67182 1 0 68183 1 0 69184 1 0 70185 1 0 70186 1 0 71187 1 0 72188 1 0 73189 1 0 73190 1 0 74191 1 0 74192 1 0 75193 1 0 75194 1 0 76195 1 0 76196 1 0 77197 1 0 77198 1 0 77199 1 0 M END