HMDB0052283 RDKit 3D TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 191190 0 0 0 0 0 0 0 0999 V2000 -1.3578 3.5855 6.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 2.9820 5.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7337 3.4214 6.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 2.6756 7.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6878 1.1858 7.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 0.7224 8.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 -0.1949 8.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0271 -1.1139 8.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5761 -1.1797 7.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3312 -1.0783 6.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1796 -0.8738 7.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 0.3673 7.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 0.2795 6.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6217 -0.9153 6.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7847 -0.5608 7.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 -0.5390 7.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3952 -0.8504 5.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 -1.9507 5.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2493 -3.1548 5.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0519 -3.6043 4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2174 -3.9858 3.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 -4.5328 2.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -4.7406 3.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5266 -4.8759 1.5363 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2304 -5.4351 1.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8202 -5.7391 -0.0346 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3238 -4.5331 -0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 -3.5948 -1.2572 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6045 -2.4702 -1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 -2.4671 -1.6878 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 -1.3157 -2.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1474 -0.1628 -2.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5351 1.0034 -3.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4951 2.0849 -3.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 3.2283 -4.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4692 2.6850 -5.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 2.1627 -5.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 3.2387 -5.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3729 2.5685 -5.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4348 3.6091 -5.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5083 4.3768 -6.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0353 3.6888 -8.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4554 2.3692 -8.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9426 1.8136 -9.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1387 1.4495 -10.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6675 1.5656 -10.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0251 0.1732 -10.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5469 0.3471 -10.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -1.0083 -10.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6203 -0.8082 -9.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 -2.0760 -9.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1765 -3.0917 -10.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 -4.3527 -10.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5177 -6.4656 0.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 -7.7257 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -8.2418 -0.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8496 -8.5065 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9622 -7.7089 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2728 -6.5547 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2383 -5.2982 0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8759 -4.8609 1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9303 -4.0021 2.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6564 -2.7569 2.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2887 -2.1881 2.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4713 -1.0271 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 0.1607 1.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2532 0.4757 2.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1021 0.9772 2.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5567 2.1437 2.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8085 3.1132 3.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6344 4.3368 2.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 5.5022 2.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9356 5.7200 4.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2845 6.7354 5.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 7.1108 6.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 6.0996 7.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0339 4.9006 7.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4136 3.2748 6.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4567 4.7129 6.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 3.2849 7.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 1.9180 5.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5504 3.3906 4.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 4.5567 6.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4315 3.2011 7.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6694 0.8830 6.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9087 0.7663 6.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4356 1.2972 9.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -0.3257 10.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1431 -1.1641 9.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4654 -2.1988 8.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3011 -1.3732 6.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 -1.1385 5.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 -1.7537 7.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 -0.7127 8.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0241 1.2856 7.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2726 1.2195 6.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9573 -1.1877 5.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -1.8295 7.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5754 -0.3295 8.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 -0.2679 8.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5759 -0.9221 5.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0347 0.0765 5.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3306 -1.7000 6.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1423 -3.8312 5.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3001 -2.7754 4.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5943 -4.5002 5.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0442 -4.7256 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5091 -3.0879 2.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 -6.3966 1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 -4.7565 1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4649 -6.4085 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -3.9551 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 -4.8062 -1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2837 -1.5151 -3.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 -0.9917 -2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1914 -0.6201 -2.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9683 0.1392 -1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5472 1.3405 -2.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6635 0.6686 -4.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 1.6925 -3.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 2.5023 -2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6633 3.6945 -4.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0988 3.9684 -3.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1669 1.9335 -5.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5378 3.5590 -6.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1973 1.3333 -4.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 1.7550 -6.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 3.8540 -4.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9414 3.9408 -6.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 2.1515 -4.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 1.7079 -6.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3246 4.2764 -4.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4175 3.0756 -5.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 4.8559 -7.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2056 5.2582 -6.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1742 3.6191 -7.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8265 4.3854 -8.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9207 1.6380 -7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3787 2.4114 -8.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0268 1.6989 -9.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5809 1.0410 -11.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 2.2569 -9.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 1.9711 -11.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -0.3463 -11.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 -0.4364 -9.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2823 1.0115 -9.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 0.7822 -11.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 -1.7372 -10.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 -1.4326 -9.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0204 -0.3138 -10.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -0.0941 -9.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0782 -2.5199 -8.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -1.8852 -9.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -2.6451 -11.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 -3.3864 -10.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 -5.0062 -9.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -4.8998 -11.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 -4.0845 -9.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6983 -9.4804 0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -8.7484 -1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 -7.5296 1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8545 -8.4132 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5627 -6.7584 -1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 -4.4880 -0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8548 -4.5377 1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9271 -5.7961 2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9294 -4.4371 2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3804 -2.0978 2.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5339 -2.8762 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9284 -1.8512 3.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -1.1375 0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 1.0072 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7807 1.1843 3.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0881 -0.4180 3.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7149 0.2976 1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5654 2.4550 2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 2.8253 3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 3.3563 4.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0501 4.2280 1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9955 6.3938 2.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 6.2533 3.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3404 4.8440 4.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 7.6671 4.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3039 6.2486 5.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 8.0104 6.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0283 7.5498 6.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6206 6.6022 8.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1846 5.7037 7.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8752 5.0647 6.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 3.9955 6.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5481 4.5889 7.9957 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 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 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 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 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 19104 1 0 20105 1 0 20106 1 0 21107 1 0 21108 1 0 25109 1 0 25110 1 0 26111 1 6 27112 1 0 27113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 42137 1 0 43138 1 0 43139 1 0 44140 1 0 45141 1 0 46142 1 0 46143 1 0 47144 1 0 47145 1 0 48146 1 0 48147 1 0 49148 1 0 49149 1 0 50150 1 0 50151 1 0 51152 1 0 51153 1 0 52154 1 0 52155 1 0 53156 1 0 53157 1 0 53158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 69176 1 0 70177 1 0 70178 1 0 71179 1 0 72180 1 0 73181 1 0 73182 1 0 74183 1 0 74184 1 0 75185 1 0 75186 1 0 76187 1 0 76188 1 0 77189 1 0 77190 1 0 77191 1 0 M END