HMDB0055854 RDKit 3D TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/O-18:0) 170169 0 0 0 0 0 0 0 0999 V2000 5.9258 3.5717 -6.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0664 2.6961 -6.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2965 1.5351 -7.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2244 0.2689 -6.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 -0.0734 -5.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9559 -0.8219 -4.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8145 -2.0110 -4.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5549 -2.8142 -4.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -2.9873 -2.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0513 -2.5891 -2.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 -1.9185 -3.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7022 -2.6688 -2.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0568 -3.2272 -3.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -3.2102 -5.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -2.6262 -6.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4996 -2.0066 -6.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2365 -1.7008 -4.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6051 -2.3918 -4.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2917 -1.9540 -3.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6054 -2.6207 -3.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3501 -2.1976 -2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 -2.4940 -0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 -3.1278 -1.0847 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9254 -2.1092 0.2829 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3493 -2.2713 1.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 -3.6891 2.0138 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4725 -4.4042 2.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3463 -3.7906 3.0298 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9291 -3.6921 4.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8873 -3.0413 5.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2306 -1.6312 4.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 -1.3914 3.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2494 0.0586 3.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0148 0.8866 3.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3125 2.3587 3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0271 3.0901 3.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 3.0732 4.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7598 3.6535 5.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8345 3.5881 6.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5153 4.2930 6.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7442 4.1402 7.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 4.7896 7.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4541 4.1527 6.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 2.6679 6.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4953 2.0918 5.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7488 0.6009 6.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2854 -4.3381 1.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 -4.7269 1.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7864 -4.4746 2.7954 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0241 -5.4032 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2488 -5.6521 1.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9103 -4.4311 2.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 -3.4140 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 -2.2415 1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4313 -1.0313 1.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 -0.6798 0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 -0.1378 1.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2463 1.0555 1.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 2.0082 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 2.2897 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 2.0569 -1.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 1.4759 -2.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 2.4531 -3.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4367 2.6774 -4.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 3.6377 -5.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8145 4.9967 -4.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1415 2.9306 -7.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2522 4.2967 -7.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4819 4.1546 -6.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9205 2.5587 -5.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0051 3.3360 -6.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5587 1.7493 -8.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4211 -0.4929 -7.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6593 0.8103 -4.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9491 -0.7006 -5.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9401 -0.2964 -4.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7354 -2.4201 -3.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8051 -2.4658 -4.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8911 -3.8614 -4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9247 -3.4707 -2.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.7607 -1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2416 -1.5983 -4.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7532 -0.9324 -2.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2831 -2.7550 -1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1036 -3.8077 -3.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5505 -2.8649 -5.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -4.3332 -5.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0001 -2.7309 -7.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 -1.6513 -7.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -1.7356 -4.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -0.5791 -5.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2256 -2.1384 -5.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4854 -3.4933 -4.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -0.8498 -3.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5397 -2.1272 -2.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 -3.7361 -3.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2103 -2.4506 -4.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 -2.8260 -2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6408 -1.1353 -2.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2976 -1.8292 1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9059 -1.7435 2.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6996 -3.6070 3.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2606 -5.4232 2.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 -4.5803 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9577 -3.1379 4.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6886 -4.7041 4.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7755 -3.6784 5.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3388 -3.0110 6.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2744 -1.0613 4.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8577 -1.1537 5.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8183 -2.0344 3.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2247 -1.6943 2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7532 0.0544 2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0252 0.4427 4.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3947 0.7516 4.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4043 0.5558 2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 2.7543 3.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7551 2.3906 2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2475 4.1766 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 2.7419 2.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 3.6266 4.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 2.0318 4.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7175 3.2140 5.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9863 4.7474 5.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2818 3.9890 7.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5621 2.5150 6.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6508 5.3656 6.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9463 3.8770 5.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7191 3.1045 8.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3408 4.7219 8.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 4.7176 8.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 5.8535 7.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 4.5989 6.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0346 4.2613 5.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2818 2.5523 7.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2677 2.1062 6.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9534 2.1656 4.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4645 2.6059 5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 0.4962 6.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8496 0.0528 6.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 0.1452 5.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4533 -6.4029 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 -4.8742 -0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -6.1840 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0797 -6.3418 2.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9117 -4.7807 2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 -3.9123 2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0047 -3.8866 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -3.1733 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8479 -2.4056 2.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9593 -0.2351 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5382 0.0857 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7386 -1.5256 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.8419 2.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 1.3913 2.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2967 3.0094 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8968 1.8357 0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 2.7301 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4746 2.3009 -1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 1.2869 -1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8423 0.5596 -2.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 3.4132 -2.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 2.1432 -3.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1702 3.1939 -3.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 1.7202 -4.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 3.2384 -6.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 3.7418 -5.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8728 5.0778 -3.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2161 5.1717 -5.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4572 5.8080 -5.2619 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 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 45 46 1 0 26 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 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 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 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 25101 1 0 26102 1 1 27103 1 0 27104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 44135 1 0 44136 1 0 45137 1 0 45138 1 0 46139 1 0 46140 1 0 46141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 52147 1 0 53148 1 0 53149 1 0 54150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 58155 1 0 59156 1 0 59157 1 0 60158 1 0 61159 1 0 62160 1 0 62161 1 0 63162 1 0 63163 1 0 64164 1 0 64165 1 0 65166 1 0 65167 1 0 66168 1 0 66169 1 0 66170 1 0 M END