HMDB0049532 RDKit 3D TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 175174 0 0 0 0 0 0 0 0999 V2000 6.4222 -5.7347 3.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7776 -4.4834 3.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5765 -3.3495 3.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 -2.3304 4.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -2.0247 5.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -2.9666 4.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 -2.6690 4.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 -1.3651 3.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -0.8913 4.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0761 -0.6617 3.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0721 -0.8545 2.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4014 0.4482 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 0.6737 0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5261 -0.3780 0.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7578 0.1986 1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8212 0.3849 0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9601 0.0521 -0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1976 1.3340 -1.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4389 1.7831 -2.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2824 1.0513 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9541 1.6811 -2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7244 2.9779 -3.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4913 3.5783 -4.1866 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5166 3.5837 -3.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 4.7915 -3.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 5.0081 -2.8585 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2610 3.8872 -3.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5446 3.6918 -4.5643 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 2.5901 -4.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7056 1.9020 -3.8676 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 2.1658 -6.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 1.7110 -7.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6585 2.8264 -7.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 2.5207 -8.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4286 1.6042 -9.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 0.1459 -8.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5241 -0.2975 -8.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4102 -1.6712 -7.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7398 -1.8413 -6.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7849 -3.1800 -6.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -3.9870 -6.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 -3.7596 -6.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -3.7784 -5.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 -2.7646 -4.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -2.6512 -3.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -3.6726 -2.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3729 -5.0627 -2.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 5.0733 -1.4606 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2326 6.1272 -0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5721 7.2415 -1.1607 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0069 6.1255 0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 6.1386 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5789 6.1780 2.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0274 6.2060 3.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1131 6.3501 4.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5141 5.2317 5.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 4.4759 6.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3495 4.5975 6.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 3.7040 6.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6102 2.5148 6.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6196 1.7213 5.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 0.5418 6.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4728 -0.6658 6.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 -1.0261 5.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6317 -1.8646 4.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0658 -3.0747 3.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2191 -3.6609 4.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8502 -4.9062 5.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4483 -6.1124 4.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2843 -6.1382 3.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9675 -5.7545 4.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9367 -6.6519 3.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3803 -5.6360 5.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4912 -5.7192 3.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0285 -4.6610 2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7142 -4.4716 3.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6591 -3.4120 3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0589 -1.5566 4.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6787 -0.9422 4.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1453 -1.9934 6.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9809 -3.9605 5.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9752 -3.4725 4.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 -1.4146 2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1884 -0.5975 3.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2444 -0.7347 5.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8149 -0.3017 4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8291 -1.3060 1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -1.6208 2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 1.2735 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6772 1.6469 0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3629 -1.3343 1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 -0.5008 -0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7354 0.4732 2.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7153 0.8241 1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9439 -0.5301 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 -0.5044 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0666 1.9211 -1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 2.7774 -2.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2535 -0.0370 -2.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4459 1.0665 -4.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 1.7492 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1538 0.9948 -3.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6506 5.6384 -3.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2324 4.8100 -4.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 5.9586 -3.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 4.1188 -2.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9416 2.9130 -2.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 2.9888 -6.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 1.2936 -6.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 0.9442 -6.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 1.3756 -8.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 3.6768 -7.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3537 3.3136 -6.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3817 2.3045 -7.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 3.5309 -8.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2736 1.8677 -10.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 1.6498 -9.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -0.4060 -9.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6079 -0.1526 -8.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 0.3904 -7.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 -0.2689 -8.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2454 -2.4404 -8.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -1.9889 -7.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6307 -1.0609 -5.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6936 -1.5941 -7.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1422 -3.5118 -5.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 -4.9993 -5.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1527 -2.8309 -7.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2433 -4.6496 -7.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3664 -4.8344 -5.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -3.7347 -6.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5242 -1.7489 -5.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5438 -2.8623 -4.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5394 -2.4702 -3.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8753 -1.6374 -3.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0338 -3.3459 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 -3.6327 -2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 -5.6463 -3.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 -5.6723 -1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5172 -5.1254 -3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5318 6.9870 1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 5.1688 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9089 7.0559 0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9594 5.2829 0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0291 5.3277 3.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0638 7.0853 3.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5116 7.0830 2.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 5.3055 2.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 7.3494 4.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1821 6.4415 4.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4689 4.9679 5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 3.7029 6.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2253 5.0260 8.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7817 5.6154 6.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3641 4.1190 7.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5991 1.9704 6.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0286 1.4556 4.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 2.3281 5.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5467 0.7062 7.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 -1.5011 6.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2405 -1.4408 5.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6725 -0.1343 4.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7652 -1.4819 3.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -3.6596 2.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 -3.9508 3.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8234 -3.0510 5.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6839 -5.2047 5.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0074 -4.6687 5.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2075 -6.8915 5.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3289 -6.6243 3.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4089 -5.7802 2.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1295 -7.2894 3.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6804 -4.7202 3.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0032 -5.8301 5.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1223 -6.3822 3.7640 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 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 26 48 1 0 48 49 1 0 49 50 2 0 49 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 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 2 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 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 6 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 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 57152 1 0 58153 1 0 58154 1 0 59155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 66164 1 0 67165 1 0 67166 1 0 68167 1 0 68168 1 0 69169 1 0 69170 1 0 70171 1 0 70172 1 0 71173 1 0 71174 1 0 71175 1 0 M END