HMDB0047520 RDKit 3D TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:2n6) 197196 0 0 0 0 0 0 0 0999 V2000 6.6861 -2.8207 -4.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1958 -3.1027 -4.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4095 -2.2282 -3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7444 -2.3726 -2.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4808 -3.8288 -1.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 -4.0860 -2.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2118 -4.4112 -1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 -4.5764 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1781 -5.9645 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 -6.1981 1.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6486 -5.0963 2.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7675 -5.1077 1.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8094 -5.2815 2.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 -5.5290 3.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3567 -6.8439 4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 -6.9908 4.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0672 -5.9259 5.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4685 -5.6540 5.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2726 -4.7345 5.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6111 -4.4599 5.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7445 -3.5894 4.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5745 -2.1542 4.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5885 -1.6293 5.0966 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5945 -1.2510 4.0835 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6744 0.1104 4.3925 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7891 1.0880 3.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7393 1.1859 2.3803 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 2.1488 1.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8034 2.8850 1.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6614 2.3228 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5617 3.0119 1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2926 3.3085 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 2.1522 -0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1903 2.7026 -0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 1.6288 -1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 0.4602 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 0.6064 0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8759 1.1608 1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8565 0.3467 0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 0.8105 -0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6558 2.1692 -1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8905 2.9450 -0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0293 2.6319 -0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5113 1.4291 0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1761 1.7352 1.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3921 2.4364 2.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1455 1.7871 3.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 0.4471 3.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8055 0.6082 5.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4556 0.4457 5.3895 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8188 -0.7476 5.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4673 -1.8152 5.3733 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 -0.9332 5.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1089 -1.5822 3.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6556 -0.5164 2.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6132 -0.9303 1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 -2.1310 1.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -2.4179 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0709 -3.5618 -0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9842 -4.1314 -2.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3606 -3.3612 -3.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5919 -2.1458 -3.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1284 -1.6345 -4.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3545 -0.4160 -5.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4834 0.7281 -4.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6017 1.8594 -4.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 3.0622 -4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 4.2541 -4.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4923 4.3358 -4.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2738 3.4162 -5.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7225 3.7376 -5.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6034 3.6833 -4.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4443 4.5493 -3.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4769 6.0332 -3.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 6.7412 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2018 -3.4600 -5.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9160 -1.7762 -5.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -3.0440 -3.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0564 -4.1872 -4.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8726 -2.8543 -5.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6735 -1.1663 -4.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -2.3184 -4.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0514 -1.7764 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7955 -2.1253 -2.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0853 -4.4739 -2.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8742 -3.8364 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7061 -3.9953 -3.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1679 -4.5667 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -4.6082 0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2698 -3.7726 0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6614 -6.7542 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -7.2344 1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 -4.1025 2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8545 -5.3540 3.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9313 -4.9268 0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8061 -5.2668 2.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 -4.7026 4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6508 -5.6908 4.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8807 -7.6728 3.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9146 -7.9968 4.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2529 -6.3763 6.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5149 -5.0233 5.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3929 -5.2526 4.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0253 -6.6073 4.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6892 -3.8994 6.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4689 -5.3710 6.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1333 -5.4446 5.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2064 -3.9588 6.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7870 -3.7572 3.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0708 -3.8904 3.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7419 0.1885 4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7809 0.9474 2.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9174 2.1116 3.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4398 1.4237 -0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0862 3.0437 -0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9706 4.0123 1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4088 2.4756 2.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3707 4.0614 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6234 3.8155 1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1011 1.6334 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 1.4207 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2387 3.2699 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4364 3.4232 -1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1366 1.2654 -2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6495 2.0133 -1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 -0.2153 -0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 -0.1763 -0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5512 -0.4359 1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8693 1.1551 1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0853 1.1313 2.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 2.2276 0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9048 -0.7152 0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 0.0625 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8515 2.8217 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3814 2.2134 -2.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8606 3.9987 -1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8197 3.4303 -0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3004 0.9728 -0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7962 0.6455 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0631 2.3752 1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 0.7592 1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0646 2.5455 3.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1802 3.4757 2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3454 1.7401 2.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7411 2.4681 3.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 0.2864 4.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3148 -0.3661 2.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2431 0.4366 4.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1141 1.6813 5.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1870 0.0997 6.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -1.5800 6.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 0.0417 5.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0175 -1.6100 3.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6338 -2.5258 3.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6717 -0.2405 3.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9909 0.3542 3.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0153 -0.1095 0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -1.1456 1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1365 -2.9650 1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5528 -1.8479 1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1505 -2.7267 -0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2876 -1.4841 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9124 -4.3940 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1647 -3.2866 -0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 -4.5423 -2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5726 -5.1402 -2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 -3.0125 -3.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4096 -4.0399 -4.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 -2.2725 -3.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7767 -1.2948 -2.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2116 -1.5014 -4.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8756 -2.4374 -5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -0.7005 -5.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5256 -0.0759 -6.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0123 0.4718 -3.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 1.0899 -4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 2.0379 -5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6314 1.3708 -5.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2759 2.8223 -3.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7735 3.3043 -3.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 5.0909 -3.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3902 4.6318 -5.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2476 5.3895 -4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0567 4.3249 -3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2341 2.3448 -5.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1769 3.2845 -6.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2098 3.0451 -6.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8609 4.7440 -6.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5277 2.6047 -3.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 3.7253 -4.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 4.3913 -2.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7301 4.2094 -2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 6.4004 -4.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 6.2859 -3.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9218 6.2932 -1.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 6.7150 -1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 7.8347 -2.2857 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 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 2 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 18104 1 0 19105 1 0 19106 1 0 20107 1 0 20108 1 0 21109 1 0 21110 1 0 25111 1 1 26112 1 0 26113 1 0 30114 1 0 30115 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 40133 1 0 41134 1 0 41135 1 0 42136 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