HMDB0055412 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -1.6402 -6.6694 4.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 -6.9707 5.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9746 -6.1569 4.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7434 -5.2443 4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8315 -4.8365 6.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5198 -3.4143 6.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3461 -2.5075 6.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7097 -2.8728 7.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8129 -2.3225 6.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8383 -1.5368 5.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7368 -0.8903 4.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0482 0.5794 4.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2631 1.4538 5.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 1.3378 5.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0203 2.3053 5.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 2.3688 5.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 3.3880 4.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5045 3.1129 3.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4692 2.1643 3.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 0.8018 3.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1159 0.3672 4.6556 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5183 -0.2385 2.5427 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 -1.5891 2.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5036 -2.5043 1.8019 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8623 -2.6281 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5187 -1.5033 0.7755 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 -0.5611 1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3611 -0.6838 2.7117 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8042 0.6420 0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 0.8194 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6955 2.0405 -1.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0033 2.2358 -2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 3.4309 -3.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7964 4.4605 -3.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3207 4.5166 -3.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 4.6008 -4.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 5.5791 -4.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4257 6.7514 -3.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 7.9361 -4.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 8.8539 -5.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2271 8.8310 -4.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9885 8.7549 -6.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 9.6219 -6.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2098 10.8346 -5.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7194 10.7723 -5.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1315 -3.8616 2.1749 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8991 -4.4976 1.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 -3.8175 0.5039 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3723 -5.8628 1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7442 -6.8778 0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 -6.6853 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5072 -6.7334 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -6.6733 -2.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1056 -6.7425 -2.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 -6.8488 -4.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5986 -6.9733 -4.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4972 -5.7805 -4.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 -4.6304 -5.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 -3.4471 -4.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9143 -3.0400 -3.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5993 -2.5248 -2.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 -1.3763 -3.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -0.7739 -3.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8112 -0.1709 -1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 -1.0684 -0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5665 -5.5818 4.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5426 -7.1984 3.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8586 -7.0336 5.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -8.0601 4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0774 -6.8556 6.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0491 -6.3268 3.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4167 -4.6882 4.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7586 -5.2112 6.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0265 -5.4089 6.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5146 -3.0660 6.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9812 -1.4540 7.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8003 -3.9714 7.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8549 -2.5437 8.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8385 -2.6530 6.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8835 -1.2695 5.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7423 -1.0714 4.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8538 -1.1927 3.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0702 0.8738 4.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6869 2.5132 5.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4662 0.3361 5.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8528 1.5348 6.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9752 1.8828 4.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4975 3.3073 5.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2535 1.3650 5.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 2.8269 6.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 4.3065 4.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9537 3.7688 5.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2516 4.1041 3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4953 2.8675 3.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 2.2147 1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 2.6606 3.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -1.7031 3.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1007 -1.7669 3.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1765 -2.1824 0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8143 -3.3574 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5528 -3.1865 1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5901 1.5096 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8824 0.5054 0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3513 -0.0613 -1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 0.8916 -0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5332 2.9690 -0.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7745 1.9427 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9351 2.1524 -2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3968 1.3571 -3.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6175 3.5067 -3.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 5.3287 -4.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2292 5.4384 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9845 3.6410 -2.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7825 3.7910 -5.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 5.6242 -5.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 6.7305 -3.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4985 6.7133 -3.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1336 7.9359 -5.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 9.7207 -5.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5537 8.0671 -4.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 9.8004 -4.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 7.8863 -6.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 9.4536 -7.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 11.0030 -4.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 11.7439 -6.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2758 11.3029 -6.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9199 11.2908 -4.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0235 9.6925 -5.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 -6.0991 2.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 -5.8604 1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -6.7412 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9698 -7.9292 1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5264 -7.4466 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6447 -5.6957 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -7.7082 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -5.8714 -0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -5.7464 -2.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -7.5311 -2.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -5.8606 -2.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5382 -7.6401 -2.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -5.9318 -4.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6229 -7.7312 -4.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6449 -7.3306 -5.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0458 -7.8403 -4.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5277 -6.0581 -5.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6272 -5.5833 -3.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 -4.8443 -6.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4678 -2.7043 -5.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4187 -3.7336 -2.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5613 -2.1006 -3.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8269 -3.2958 -2.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8881 -2.1034 -1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0071 -1.6991 -4.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9529 -0.5871 -3.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5539 -0.0128 -4.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 -1.5603 -3.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 0.3854 -1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5535 0.6736 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 -0.7692 -0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -2.1444 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9534 -0.8892 -0.2291 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 6 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 45128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M END