HMDB0052697 RDKit 3D TG(18:2(9Z,12Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) 171170 0 0 0 0 0 0 0 0999 V2000 5.4108 -5.0593 4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3809 -6.0450 3.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9921 -5.4705 4.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8758 -4.1636 3.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5291 -3.5164 3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4177 -4.3420 3.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 -3.9763 2.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3193 -2.6932 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 -1.8681 1.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2777 -1.4177 0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0726 -1.7174 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3403 -2.2565 -1.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9476 -1.6468 -2.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 -0.4543 -2.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 -0.5022 -4.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3073 -1.6290 -4.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 -2.0161 -4.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0571 -1.1347 -3.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2239 -1.5369 -3.4802 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 0.2618 -4.0586 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1578 1.0016 -3.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 2.4957 -4.0796 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4238 3.0641 -3.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6462 4.4146 -4.0387 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9838 4.8078 -3.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6775 3.8904 -3.2437 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 6.1560 -3.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9507 6.2741 -3.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 5.5844 -4.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9982 4.1535 -4.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7248 3.4010 -3.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8723 1.9627 -4.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 1.1914 -4.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0126 1.0229 -2.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6852 -0.1332 -2.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7727 -1.4719 -3.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -2.3041 -2.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7228 -2.8727 -2.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2222 -2.7665 -4.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3343 -4.1686 -4.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0577 -4.9369 -4.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0277 -4.3029 -5.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 -5.2066 -5.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 3.0841 -3.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 3.7408 -3.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 3.8775 -4.9695 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0419 4.3601 -2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2964 3.5433 -2.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 4.0812 -2.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1763 4.2149 -0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8345 2.9246 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6662 3.1433 1.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 1.8932 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2425 2.2211 3.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8594 0.9874 4.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8095 1.2507 6.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 1.5788 6.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0213 0.3894 6.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1047 0.3234 5.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7235 1.4825 4.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1407 1.6515 5.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1297 1.5897 4.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0061 1.3602 3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7311 0.0864 2.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1679 -1.1133 3.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8461 -2.3823 2.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3158 -2.3906 3.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 -4.6668 5.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3869 -5.6134 4.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5003 -4.2203 3.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4767 -6.1582 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -7.0244 4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2145 -6.1833 3.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 -5.2853 5.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6393 -3.4186 3.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9683 -4.3741 2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4654 -3.5168 4.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -2.4606 3.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2697 -5.3223 3.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2425 -4.6527 2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5979 -2.1151 2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1062 -2.9868 0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7598 -1.5789 2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -0.7832 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3396 -2.5575 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6724 -0.8350 -0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8184 -3.1408 -0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8846 -2.0497 -2.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2476 0.3448 -2.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 0.0335 -2.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6376 0.4634 -4.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0878 -0.5122 -4.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 -1.3459 -5.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -2.5789 -4.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2066 -2.5981 -3.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6676 -2.9176 -4.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 0.6196 -4.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5636 0.8952 -2.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7743 2.7193 -5.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7353 2.7678 -2.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 2.4821 -4.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0248 6.8491 -3.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1376 6.5200 -4.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2071 6.0174 -2.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1873 7.3941 -3.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4640 5.9723 -5.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8496 6.0988 -4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 3.5540 -5.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7693 4.0896 -5.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2666 3.4559 -2.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 3.8147 -3.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4920 1.3978 -3.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3712 1.8299 -5.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8163 1.6749 -4.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8745 0.2102 -4.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 1.8874 -2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 -0.1285 -1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9997 -1.3163 -4.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7204 -1.9022 -2.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3281 -2.4441 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3383 -3.4961 -2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2817 -2.4060 -3.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6306 -2.1981 -4.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7221 -4.1137 -5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1366 -4.7437 -4.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6448 -5.1629 -3.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 -5.9288 -5.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7646 -3.2706 -5.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3877 -4.3478 -6.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 -5.4693 -4.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 -6.1177 -6.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9474 -4.6360 -6.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 4.3459 -1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 5.4117 -3.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0595 2.4963 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 3.5203 -3.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7461 5.0856 -2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3508 3.4203 -2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1089 4.6389 -0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3783 4.9794 -0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 2.5106 -0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6451 2.1735 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8585 3.9126 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5962 3.6037 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1094 1.1372 2.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3207 1.5184 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1799 2.6194 4.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3994 2.9411 3.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6089 0.1800 4.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8829 0.5705 4.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1321 2.1165 6.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4563 0.3978 6.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5591 2.5359 6.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0506 1.7334 7.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6337 -0.5486 6.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6353 -0.6365 5.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5866 1.5034 3.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1988 2.4123 5.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3275 1.8218 6.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1526 1.7376 4.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5802 2.1922 2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0057 1.3196 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8161 0.1290 2.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5468 -0.0646 1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2660 -1.0272 4.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0774 -1.2257 3.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6982 -2.4934 1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4068 -3.2982 3.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5381 -1.8895 4.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9014 -1.8424 2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7394 -3.4153 3.3129 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 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 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 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 6 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 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 43130 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 59156 1 0 60157 1 0 60158 1 0 61159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 67171 1 0 M END