HMDB0042915 RDKit 3D TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) 177176 0 0 0 0 0 0 0 0999 V2000 2.3932 -3.8302 -3.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 -3.9403 -2.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7346 -3.8322 -3.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 -2.9381 -3.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4132 -1.8541 -2.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4219 -1.9311 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2544 -0.9856 -0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 0.3025 -1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6421 0.4515 -2.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7983 0.5996 -3.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7746 0.6635 -4.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9659 1.8789 -5.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1721 2.8724 -5.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8268 3.1671 -4.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 2.2969 -3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1031 1.6172 -4.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3293 1.6045 -5.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9716 2.1041 -5.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9177 1.3746 -5.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8671 0.0385 -5.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3669 -0.9933 -4.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 -0.6773 -4.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 0.0472 -3.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -1.1576 -4.7881 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3773 -0.8298 -4.1927 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3286 -0.1294 -5.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4805 0.3905 -4.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2642 1.3977 -3.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0073 1.7175 -3.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2447 2.1139 -2.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9843 1.4782 -1.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2957 0.7959 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6258 -0.4549 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9508 -1.2767 0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 -0.7633 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6138 -0.4472 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4227 -0.0989 0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2614 0.1930 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 0.4331 0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0136 1.5353 1.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 1.6109 2.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4544 2.6996 3.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0237 -2.1892 -3.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2193 -2.7154 -2.7562 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3364 -3.9615 -2.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2143 -4.7348 -2.6609 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 -4.3056 -1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0092 -5.7343 -1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1173 -5.8667 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 -7.2378 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2675 -7.5310 1.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2891 -7.5259 2.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8469 -6.3876 3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0927 -5.2282 3.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 -4.2536 4.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 -3.0810 5.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8877 -2.1855 6.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9477 -1.4640 5.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3597 -0.3872 4.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6501 0.5575 5.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0241 1.8072 5.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.5024 4.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5021 3.7014 3.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5258 4.4663 3.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6477 5.0629 3.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4936 6.0588 4.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8719 7.3622 4.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4349 7.4419 4.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5184 6.8736 5.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3748 -3.8807 -3.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 -2.9090 -4.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 -4.6680 -4.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1499 -3.2788 -1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -5.0140 -2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 -4.6063 -4.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5998 -2.9664 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4774 -0.9130 -2.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 -1.8485 -1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 -2.8592 -0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9718 -1.1295 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3075 1.0905 -0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4617 0.5122 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5064 0.4269 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8506 0.6921 -3.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0038 -0.2169 -5.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7545 0.5170 -4.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9958 1.9094 -5.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6407 3.6525 -6.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9183 4.1901 -4.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 3.4236 -5.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6182 2.2398 -2.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7052 0.9783 -3.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6935 2.3220 -6.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 0.5929 -5.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 3.1218 -4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0407 1.8217 -4.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7561 -0.3828 -6.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 0.0100 -6.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4179 -1.9722 -5.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 -1.0211 -4.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1446 -0.2563 -3.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 0.7406 -5.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6091 -0.8054 -5.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7344 3.0482 -2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0428 2.5386 -3.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6403 2.3144 -1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7992 0.7983 -1.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5507 1.5113 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0558 0.5442 0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4327 -1.1062 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9723 -0.2311 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7418 -2.2812 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7283 -1.5353 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0562 0.1742 1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4605 -1.5174 1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 -1.3464 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8258 0.3786 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2465 -1.0258 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 0.7744 1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 1.0591 -0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 -0.6728 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7995 0.7227 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3949 -0.5284 1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 1.3000 2.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 2.4897 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5996 0.6355 2.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1716 1.7154 1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9447 2.3221 4.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4964 2.9056 3.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 3.6072 2.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1416 -2.8226 -4.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0297 -2.0242 -3.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4838 -3.6849 -1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8397 -4.0282 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3851 -6.0924 -1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8576 -6.4165 -0.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 -5.5975 1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 -5.0713 0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1008 -7.3693 -0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -8.0230 0.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8507 -8.5105 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 -6.7832 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1479 -8.3145 2.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4531 -8.0457 3.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8214 -6.0067 3.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -6.8035 4.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 -4.7872 2.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8724 -5.6227 4.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2685 -4.8244 5.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4883 -3.8266 3.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7922 -3.4777 5.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5157 -2.4859 4.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2888 -1.5292 6.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 -2.8929 6.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6285 -2.0984 4.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5491 -0.8954 6.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6214 -0.8998 3.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.0248 3.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1986 0.2118 5.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4397 2.4424 6.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6662 1.9557 3.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7802 2.9683 5.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7954 4.2386 4.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8632 3.2001 3.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0048 3.6775 2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0114 5.1144 2.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3092 5.5531 3.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3368 4.2056 4.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0432 5.6505 5.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5643 6.2915 5.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4881 8.0089 3.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9534 7.9888 5.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 7.0331 3.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1721 8.5528 4.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0714 7.6557 5.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 6.3305 4.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 6.1129 5.9283 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 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 1 0 40 41 1 0 41 42 1 0 25 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 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 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 2 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 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 68173 1 0 68174 1 0 69175 1 0 69176 1 0 69177 1 0 M END