HMDB0049329 RDKit 3D TG(18:1(11Z)/20:3(5Z,8Z,11Z)/24:1(15Z)) 187186 0 0 0 0 0 0 0 0999 V2000 4.0729 0.5467 -0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -0.8584 -0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1029 -1.6703 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -1.7010 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0623 -2.3330 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5358 -2.3125 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0571 -2.8948 -2.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 -3.9063 -2.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3311 -4.6742 -0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8745 -4.5926 -0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -3.1524 -0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7297 -2.9020 -0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2665 -3.4482 -2.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7157 -3.1805 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9695 -1.6647 -2.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0332 -1.0538 -3.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1487 0.4571 -3.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0351 0.8516 -4.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4159 -0.0733 -5.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 2.1486 -4.6973 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5963 2.5421 -5.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3155 1.9899 -4.9470 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1302 2.1399 -5.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1348 1.2874 -5.3275 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1166 1.0768 -5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4823 1.6819 -6.8247 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 0.0894 -5.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9254 -1.2358 -5.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7084 -2.2907 -5.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7301 -3.5892 -5.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4729 -4.6353 -5.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8326 -5.0067 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 -6.0597 -3.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1457 -6.6139 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -7.2759 -1.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 -7.9768 -0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1449 -7.2110 0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7238 -8.2102 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4153 -7.6658 2.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7183 -6.7417 3.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6755 -5.5288 3.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5011 -4.8462 4.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7581 -3.5348 3.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4047 -2.6240 3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2711 -1.2587 2.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -0.5211 3.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 0.8603 2.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 1.5444 3.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 2.9448 2.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 2.4346 -3.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 1.5792 -2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 0.3388 -2.8728 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0459 1.9483 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7821 2.5498 -0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4107 3.8698 -1.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8011 4.4228 -0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8984 5.5715 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 6.5374 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1648 7.8480 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 8.9195 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 8.9491 1.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 9.4104 2.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 8.6753 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8429 7.3375 3.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2526 7.2988 5.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2562 5.8769 5.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8647 5.7416 6.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 4.3489 7.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2871 3.3122 6.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8109 3.5566 7.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2161 3.4991 9.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 0.6808 -1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7994 1.2907 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 0.8030 0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7517 -0.8215 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 -1.2813 -1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 -2.7138 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4561 -1.2588 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 -0.6569 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2122 -2.2244 1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3686 -1.8086 -1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 -3.3961 -0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2366 -1.2435 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 -2.7866 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2111 -2.4098 -3.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 -4.2363 -3.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 -4.3416 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 -5.7531 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2226 -5.0919 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2028 -5.1805 -0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 -2.5824 -1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8716 -2.7820 0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9251 -1.8357 -0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1681 -3.4522 0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6526 -3.2253 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1999 -4.5920 -2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3783 -3.6387 -1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9467 -3.5309 -3.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7728 -1.3085 -1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0113 -1.4391 -2.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 -1.3132 -3.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1609 -1.5539 -4.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0598 0.9539 -2.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1371 0.6750 -3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 3.6445 -5.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7377 2.2361 -6.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4225 0.8506 -4.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4201 1.7016 -6.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7988 3.1593 -6.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9971 0.4518 -5.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6399 -0.0180 -4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8445 -1.5179 -5.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3243 -1.1033 -6.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3332 -2.4085 -4.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 -1.9099 -5.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -3.9471 -6.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 -3.3907 -6.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5233 -5.6005 -5.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -4.3230 -4.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8071 -5.3477 -3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8992 -4.0884 -3.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 -6.9422 -3.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7046 -5.6987 -2.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8607 -7.3775 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0748 -5.8197 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0517 -6.4557 -2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 -7.9155 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -8.4777 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -8.8900 -0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 -6.8163 0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4643 -6.3673 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5788 -8.9556 1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1152 -8.8185 1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3688 -7.2289 3.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1416 -8.5616 3.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 -7.1277 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 -4.9579 3.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -5.4265 4.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3183 -4.5372 5.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 -3.8047 2.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6968 -3.0818 3.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2977 -3.1086 3.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 -2.5353 4.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1807 -0.6573 3.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2884 -1.2719 1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 -1.0450 3.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 -0.4462 4.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0566 0.8238 1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 1.4469 3.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 1.6428 4.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1606 0.9621 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 3.4392 3.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 3.5254 3.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 2.8544 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1947 1.0080 -0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9167 2.6154 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1082 1.8812 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 2.7110 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 4.5303 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1573 3.6946 -2.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 3.8128 -0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8695 5.8765 0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 6.1814 -0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6913 6.5297 0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 7.9158 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 9.8930 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 9.8456 1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 8.1483 1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 10.4381 2.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1123 9.1011 4.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0821 6.8909 3.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7579 6.6834 3.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6216 7.9743 5.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9888 7.6024 5.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6456 5.2172 5.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 5.6137 4.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 6.4431 6.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1611 6.0781 7.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8282 4.3093 8.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 4.1279 6.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 2.3129 7.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1638 3.3011 5.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2317 4.5665 7.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5734 2.7629 7.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8336 2.8336 9.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1623 4.5249 9.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 3.0481 9.2786 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 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 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 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 22 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 2 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 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 9 87 1 0 9 88 1 0 10 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 12 94 1 0 13 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 15100 1 0 16101 1 0 16102 1 0 17103 1 0 17104 1 0 21105 1 0 21106 1 0 22107 1 1 23108 1 0 23109 1 0 27110 1 0 27111 1 0 28112 1 0 28113 1 0 29114 1 0 29115 1 0 30116 1 0 30117 1 0 31118 1 0 31119 1 0 32120 1 0 32121 1 0 33122 1 0 33123 1 0 34124 1 0 34125 1 0 35126 1 0 35127 1 0 36128 1 0 36129 1 0 37130 1 0 37131 1 0 38132 1 0 38133 1 0 39134 1 0 39135 1 0 40136 1 0 41137 1 0 42138 1 0 42139 1 0 43140 1 0 43141 1 0 44142 1 0 44143 1 0 45144 1 0 45145 1 0 46146 1 0 46147 1 0 47148 1 0 47149 1 0 48150 1 0 48151 1 0 49152 1 0 49153 1 0 49154 1 0 53155 1 0 53156 1 0 54157 1 0 54158 1 0 55159 1 0 55160 1 0 56161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 60166 1 0 61167 1 0 61168 1 0 62169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 66175 1 0 66176 1 0 67177 1 0 67178 1 0 68179 1 0 68180 1 0 69181 1 0 69182 1 0 70183 1 0 70184 1 0 71185 1 0 71186 1 0 71187 1 0 M END