HMDB0043131 RDKit 3D TG(15:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z)) 178177 0 0 0 0 0 0 0 0999 V2000 -5.9781 8.9709 1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5209 7.6814 1.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5177 7.1306 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5180 5.9811 0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5631 4.9041 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4038 4.9376 1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1696 4.8911 0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7142 4.7873 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 3.5636 -0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2441 2.6388 -1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4183 2.6276 -2.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3004 1.4912 -2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6077 0.5747 -3.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0770 0.6155 -4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5013 -0.6864 -4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 -0.9314 -5.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1628 0.0598 -4.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 -0.6219 -4.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 -1.1900 -2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4215 -1.8884 -2.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8789 -2.5923 -0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3026 -3.2893 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -2.8502 -0.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1613 -4.3925 0.5332 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2568 -5.0701 1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0242 -4.3337 2.1269 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3610 -5.0341 2.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0669 -5.4176 1.2699 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 -4.6751 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -3.4390 0.2094 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 -5.3637 -0.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7547 -4.5130 -2.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6599 -3.3879 -1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1077 -2.5824 -2.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2025 -1.7591 -3.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0413 -2.3471 -4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3476 -1.2501 -5.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1675 -1.7972 -5.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4992 -2.8827 -6.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 -3.3723 -7.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2526 -3.9437 -6.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 -5.1167 -5.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -6.2503 -6.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8011 -7.3636 -5.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 -4.1117 3.3058 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -3.1489 4.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 -1.9588 3.7959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2966 -3.5122 5.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1217 -2.3942 6.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 -1.4810 5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 -0.4272 6.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 0.4693 7.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6676 1.4780 8.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 2.3688 8.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8289 3.2601 7.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 4.0296 7.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3876 4.9864 6.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3353 4.3802 4.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 3.2356 4.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0748 2.7799 3.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 2.4010 2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 1.9435 1.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 1.6473 1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 0.5373 2.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0202 0.4040 1.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6919 -0.6835 2.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1639 -0.8261 2.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 -1.9659 2.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1131 8.7869 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7965 9.3704 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7008 9.6989 1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0915 8.0904 2.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7357 7.0943 2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3922 7.8228 0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4240 5.7699 -0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2118 3.9559 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2433 4.6216 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5597 4.9517 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 4.9278 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 5.6297 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4271 4.8906 -1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9584 3.4233 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5674 1.7506 -1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0869 3.5379 -2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0775 2.7238 -3.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7689 1.3284 -1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2849 -0.2404 -2.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 1.3733 -4.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9837 0.7586 -5.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2048 -1.5552 -4.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9465 -1.9406 -5.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4275 0.9536 -4.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 0.2885 -5.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5673 -1.4134 -4.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2722 0.1296 -3.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0593 -0.4479 -2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -1.9898 -3.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 -1.1853 -1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 -2.6392 -2.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2706 -1.8346 -0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6512 -3.3232 -1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9484 -5.2958 0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 -6.0931 1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 -3.3382 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 -4.3839 3.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 -5.9467 2.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1957 -5.8956 -0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6715 -6.1775 -1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3768 -5.2211 -2.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8805 -4.2922 -2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2548 -2.7501 -0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5716 -3.8682 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9365 -1.8715 -2.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7217 -3.2402 -3.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7847 -1.1675 -4.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 -0.9060 -2.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2259 -3.2110 -4.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 -2.5752 -3.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0159 -0.4096 -4.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 -0.8791 -5.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4511 -2.1847 -5.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7053 -0.9417 -6.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 -2.4766 -7.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0103 -3.7440 -6.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8032 -2.5534 -8.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 -4.1770 -8.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3858 -4.3286 -7.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8633 -3.2386 -5.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -5.5013 -5.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7164 -4.8040 -5.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3314 -6.6010 -7.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0556 -5.9477 -7.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6179 -8.3607 -6.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3021 -7.3813 -4.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -7.2492 -5.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 -4.2783 5.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 -4.1088 5.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7988 -1.8146 6.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -2.8222 7.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7957 -0.9194 4.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0783 -2.0761 5.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3422 0.2053 6.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9591 -0.8922 7.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1841 1.0718 6.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5213 -0.0803 7.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 2.0804 7.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8305 0.9268 9.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 2.9562 9.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 1.7001 8.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9176 2.6523 6.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0256 3.9846 7.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9571 3.3515 7.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9724 4.6507 8.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3921 5.4268 6.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6314 5.7993 6.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2572 4.1578 4.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5955 5.2001 4.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0607 2.3462 5.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3074 3.5032 4.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7612 1.9264 2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 3.6471 2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 1.6350 3.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0213 3.3264 2.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0582 0.9972 1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8671 2.6587 0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6219 2.5549 1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1512 1.4398 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4944 0.8275 3.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0386 -0.4215 1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 0.2459 0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4752 1.3993 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7301 -0.3856 3.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1584 -1.6470 2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6946 0.1206 2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1995 -1.0853 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8089 -2.0663 2.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4505 -1.7943 3.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 -2.8767 2.5980 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 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 26 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 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 1 0 65 66 1 0 66 67 1 0 67 68 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 21100 1 0 21101 1 0 25102 1 0 25103 1 0 26104 1 6 27105 1 0 27106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 44135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 0 59159 1 0 60160 1 0 60161 1 0 61162 1 0 61163 1 0 62164 1 0 62165 1 0 63166 1 0 63167 1 0 64168 1 0 64169 1 0 65170 1 0 65171 1 0 66172 1 0 66173 1 0 67174 1 0 67175 1 0 68176 1 0 68177 1 0 68178 1 0 M END