HMDB0051940 RDKit 3D TG(24:1(15Z)/15:0/22:4(7Z,10Z,13Z,16Z)) 184183 0 0 0 0 0 0 0 0999 V2000 4.3612 4.9811 -6.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1274 5.1723 -7.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5876 3.9443 -8.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5767 2.8289 -8.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0515 1.5433 -9.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9611 0.4238 -8.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7795 -0.7293 -8.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4607 -0.9416 -7.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7362 -1.1411 -6.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3165 -2.2017 -5.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5403 -3.3431 -6.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2429 -3.2277 -5.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 -4.1257 -4.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -5.3948 -4.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9046 -5.5499 -3.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5032 -6.4238 -2.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 -7.3878 -2.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7417 -7.2274 -1.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2478 -7.5466 -0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1331 -7.4429 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6778 -6.0795 1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4662 -6.1159 2.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9272 -7.2055 2.9381 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6769 -4.9843 3.2784 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3678 -4.9136 4.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2792 -3.5856 5.0993 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2524 -3.4992 6.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 -2.4394 7.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9596 -2.6449 6.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 -3.7898 6.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 -1.6832 7.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3461 -2.1767 6.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 -2.1041 4.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 -2.6628 3.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3548 -2.4351 2.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0117 -3.0630 1.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3201 -2.8025 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3822 -1.3926 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5256 -1.3953 -1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6676 -0.2109 -2.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3753 -0.4353 -3.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7828 -0.0233 -3.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7815 1.5198 -3.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0689 2.0472 -2.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2805 2.9799 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1569 3.5911 -1.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 5.0603 -1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3179 5.8300 -1.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4944 5.9271 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3329 6.6456 0.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 8.0664 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0748 8.7995 0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 8.8785 2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9061 -2.4978 4.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3171 -1.3816 4.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0602 -1.2579 4.1559 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -0.1967 3.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2067 1.0490 3.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6482 2.3186 3.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8101 3.4272 3.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 3.2695 3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8629 3.1969 2.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6576 3.0568 2.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1814 2.9561 0.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6949 2.8319 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 1.6268 1.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 1.4728 1.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0154 0.2439 2.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5003 -0.0022 2.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8217 -1.2321 3.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 5.7290 -5.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0431 3.9973 -5.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4338 5.1694 -6.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 5.9904 -7.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1121 5.4763 -8.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 4.2218 -9.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6298 3.6801 -8.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 3.0916 -8.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7341 2.6363 -7.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0264 1.4737 -8.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0283 1.8484 -10.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9524 0.5592 -9.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5237 -1.4867 -8.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7823 -0.0834 -7.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 -1.7720 -8.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2857 -0.4010 -5.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 -2.3287 -4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 -4.2257 -6.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -3.3643 -7.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -2.3015 -5.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2258 -3.9754 -4.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 -6.2647 -4.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -5.5943 -5.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 -4.8618 -2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -6.4019 -1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1498 -7.5565 -3.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8775 -8.4022 -2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5024 -7.9607 -1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1107 -6.2210 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0651 -8.6494 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7577 -7.0597 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -8.2070 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5393 -7.7727 1.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9779 -5.2603 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4511 -5.8750 0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9854 -5.6816 5.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4325 -5.1952 4.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1058 -3.3362 4.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9631 -4.4379 7.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2263 -3.1660 7.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -1.6178 8.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 -0.6432 6.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1529 -1.4501 6.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6266 -3.1862 6.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0779 -2.6605 4.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 -1.0425 4.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 -3.7379 3.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9761 -2.1013 3.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 -1.3350 2.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3252 -2.8387 2.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -4.1625 1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 -2.5989 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 -3.0395 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6968 -3.4556 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -1.2166 -0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 -0.6577 0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5253 -1.5995 -1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -2.2883 -2.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 0.7452 -2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6488 -0.2624 -3.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4678 -1.5620 -3.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1433 0.0639 -4.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5107 -0.4594 -3.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.2949 -2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 1.7343 -4.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8907 1.8742 -2.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9568 1.6168 -3.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2954 3.2867 -1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4397 3.5754 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2007 3.1111 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0594 5.1075 -2.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1494 5.5219 -1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2285 5.2747 -1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 6.8518 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 4.9534 0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4501 6.4841 0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4162 6.0757 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 6.6760 1.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1577 8.5946 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1081 8.1123 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9963 9.8249 0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1182 8.2606 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3007 9.2139 2.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 9.6298 2.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1294 7.8964 2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 -0.1284 3.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 -0.2935 2.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2568 1.1174 4.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1272 0.8935 3.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 2.5400 3.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6524 2.3554 2.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 3.5094 4.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 4.4307 3.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8584 4.1807 4.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 2.4234 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 4.1189 1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 2.3604 1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0782 3.9457 2.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9252 2.0985 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7955 2.0545 0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 3.8355 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2067 3.7111 1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0433 2.7175 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 1.7111 2.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7561 0.6852 1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1839 2.3237 1.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0725 1.3382 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7221 0.4043 3.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 -0.6404 1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8221 -0.3049 1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0860 0.8480 2.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3037 -0.8690 4.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4857 -1.9279 2.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8587 -1.7065 3.5190 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 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 1 0 69 70 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 3 77 1 0 4 78 1 0 4 79 1 0 5 80 1 0 5 81 1 0 6 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 11 89 1 0 12 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 18 98 1 0 18 99 1 0 19100 1 0 19101 1 0 20102 1 0 20103 1 0 21104 1 0 21105 1 0 25106 1 0 25107 1 0 26108 1 6 27109 1 0 27110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 42133 1 0 42134 1 0 43135 1 0 43136 1 0 44137 1 0 45138 1 0 46139 1 0 46140 1 0 47141 1 0 47142 1 0 48143 1 0 48144 1 0 49145 1 0 49146 1 0 50147 1 0 50148 1 0 51149 1 0 51150 1 0 52151 1 0 52152 1 0 53153 1 0 53154 1 0 53155 1 0 57156 1 0 57157 1 0 58158 1 0 58159 1 0 59160 1 0 59161 1 0 60162 1 0 60163 1 0 61164 1 0 61165 1 0 62166 1 0 62167 1 0 63168 1 0 63169 1 0 64170 1 0 64171 1 0 65172 1 0 65173 1 0 66174 1 0 66175 1 0 67176 1 0 67177 1 0 68178 1 0 68179 1 0 69180 1 0 69181 1 0 70182 1 0 70183 1 0 70184 1 0 M END