HMDB0049512 RDKit 3D TG(18:1(11Z)/22:2(13Z,16Z)/O-18:0) 180179 0 0 0 0 0 0 0 0999 V2000 -1.0273 7.6193 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3121 7.6576 0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 7.4546 2.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 7.4749 2.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 7.3156 4.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8949 8.4638 4.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 9.3166 5.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8914 9.2544 6.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9706 9.1339 7.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 8.1393 8.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1398 7.0169 7.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 5.7556 7.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9646 4.5929 7.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 3.2787 7.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9673 3.0336 7.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 3.0791 6.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 2.1154 5.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 2.2645 3.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 1.3212 2.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 1.3672 1.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6741 0.3341 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 0.1338 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1686 -0.8180 -1.2902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2729 0.8344 -0.8829 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 0.6560 -1.9678 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1069 1.6882 -3.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 1.3371 -4.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8361 0.3745 -4.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0805 -0.2889 -5.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -1.2388 -6.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4061 -2.0030 -7.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4175 -2.9009 -8.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1449 -3.7935 -7.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3071 -4.7558 -6.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2546 -5.4825 -5.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5808 -6.4676 -4.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6303 -7.0549 -3.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0055 -8.0436 -2.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9789 -8.5930 -1.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5423 -7.4641 -1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4757 -7.9763 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9990 -6.8112 0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8036 -5.8184 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0339 -6.4418 -0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8973 -5.4745 -1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 0.2141 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2825 -0.9289 -0.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7322 -2.1383 -0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -2.3197 -2.1658 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -3.2434 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3072 -4.0246 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9636 -4.7047 -1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2606 -5.5525 -1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 -4.9561 -0.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -3.8902 -1.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 -3.4801 -1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 -2.4239 -2.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4902 -2.0745 -1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0829 -1.0768 -2.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5224 0.0812 -2.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4759 0.5397 -0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7199 1.8615 -0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3279 1.7683 -1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6189 3.0964 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 3.0797 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5975 4.4593 -1.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1811 6.6664 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 8.4202 -0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 7.6793 0.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 6.9126 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7177 8.6966 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4304 8.2528 2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2962 6.4780 2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 6.6429 2.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0775 8.4646 2.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0782 6.3483 4.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6341 7.1448 4.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 8.5898 4.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8921 10.1730 6.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 8.6231 5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3058 10.3185 5.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5348 9.9229 8.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 8.1275 9.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1567 6.9973 6.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 6.9053 7.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3336 5.9551 7.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 5.6395 9.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 4.6017 7.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9005 4.7401 6.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 3.1330 8.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0455 2.4954 7.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4206 3.7222 8.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 2.0131 7.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 4.0685 5.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1914 2.7913 6.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7262 1.0759 5.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7446 2.3889 4.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2224 2.1061 4.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 3.3218 3.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 1.5741 2.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2102 0.2982 3.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 1.0429 2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 2.3626 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 0.4690 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6302 -0.6401 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7541 -0.2973 -2.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 1.9798 -3.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6342 2.6144 -2.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3931 -0.3750 -4.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 0.9764 -5.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 0.4683 -6.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 -0.8755 -5.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8462 -0.5801 -7.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 -1.8466 -5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5201 -2.5667 -7.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 -1.2437 -8.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8178 -3.5048 -9.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1078 -2.2824 -9.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7921 -4.4645 -8.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8967 -3.2670 -6.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4573 -4.2968 -6.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 -5.5685 -7.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8479 -4.7360 -5.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0154 -6.0208 -6.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7345 -6.0557 -4.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1858 -7.3084 -5.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4339 -7.5729 -4.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1354 -6.2302 -3.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -7.5893 -2.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -8.8939 -3.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7976 -9.1443 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -9.2611 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1928 -6.7729 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7385 -6.8777 -0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3284 -8.4794 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9125 -8.6945 0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1473 -6.2684 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6110 -7.1950 1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2234 -5.2621 -0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1578 -5.0459 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7466 -7.2745 -1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6539 -6.7998 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9710 -5.8069 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7255 -5.4769 -2.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8721 -4.4497 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9214 1.0372 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1784 -0.0425 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4019 -3.9827 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8415 -2.9344 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -3.2498 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1723 -4.6788 0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8232 -4.0061 -2.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8376 -5.3377 -1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0526 -6.4319 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3536 -6.0325 -2.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3143 -5.7972 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 -4.6345 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 -3.0609 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 -4.3701 -2.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -3.1737 -0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1091 -4.3860 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4626 -1.5079 -2.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0923 -2.7468 -3.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 -3.0692 -1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4062 -1.8595 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1463 -1.3718 -3.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9493 0.7376 -2.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 -0.0964 -0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5447 0.7327 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2761 2.6601 -1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6801 2.2171 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7845 1.0219 -0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3547 1.5554 -2.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 3.2861 -0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 3.9353 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 2.3136 -1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 2.9244 -2.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 5.1495 -2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0196 4.8850 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5162 4.3674 -1.2979 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 1 0 13 14 1 0 14 15 1 0 15 16 1 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 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 42 43 1 0 43 44 1 0 44 45 1 0 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 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 2 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 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 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 6 26107 1 0 26108 1 0 28109 1 0 28110 1 0 29111 1 0 29112 1 0 30113 1 0 30114 1 0 31115 1 0 31116 1 0 32117 1 0 32118 1 0 33119 1 0 33120 1 0 34121 1 0 34122 1 0 35123 1 0 35124 1 0 36125 1 0 36126 1 0 37127 1 0 37128 1 0 38129 1 0 38130 1 0 39131 1 0 39132 1 0 40133 1 0 40134 1 0 41135 1 0 41136 1 0 42137 1 0 42138 1 0 43139 1 0 43140 1 0 44141 1 0 44142 1 0 45143 1 0 45144 1 0 45145 1 0 46146 1 0 46147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 52152 1 0 52153 1 0 53154 1 0 53155 1 0 54156 1 0 54157 1 0 55158 1 0 55159 1 0 56160 1 0 56161 1 0 57162 1 0 57163 1 0 58164 1 0 58165 1 0 59166 1 0 60167 1 0 61168 1 0 61169 1 0 62170 1 0 62171 1 0 63172 1 0 63173 1 0 64174 1 0 64175 1 0 65176 1 0 65177 1 0 66178 1 0 66179 1 0 66180 1 0 M END