HMDB0051206 RDKit 3D TG(20:3(5Z,8Z,11Z)/20:3n6/20:4(8Z,11Z,14Z,17Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -0.1146 0.5647 -7.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3912 0.5328 -7.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0476 -0.5384 -6.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9796 -0.3853 -5.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 1.0035 -5.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8629 1.1156 -5.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 1.4029 -4.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 1.6605 -3.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2098 0.6418 -2.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1558 0.9411 -1.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6177 2.2990 -1.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6154 2.5197 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9456 3.3842 0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0278 4.3139 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6142 4.2814 0.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7119 4.7639 2.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5091 4.9016 3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 3.7642 3.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3582 2.7525 4.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4703 1.7052 4.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5459 2.1290 5.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5109 0.3505 4.5949 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5379 -0.4553 5.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6089 -1.8980 4.9312 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0763 -2.3890 5.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 -1.5608 4.1759 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1889 -1.6861 4.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 -2.6254 4.7025 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0441 -0.8650 3.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 -0.1511 2.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8526 -0.8521 0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -1.7925 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6939 -1.6559 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 -0.6166 -0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 0.7012 -0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 1.7964 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5121 1.7956 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 2.7745 -1.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6907 2.5667 -2.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2531 1.2717 -2.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7719 1.4844 -2.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3795 0.2203 -3.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7888 0.4223 -3.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7862 0.8140 -2.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1580 1.0080 -3.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2409 1.3433 -2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4347 0.2124 -1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2654 -2.2138 3.5777 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 -3.2806 3.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0282 -3.8881 4.3737 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 -3.7118 2.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 -4.9250 2.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5707 -5.1298 0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 -6.2389 0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 -6.2006 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6188 -4.8000 -1.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3249 -4.5886 -2.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5775 -4.1939 -2.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5277 -3.8979 -1.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2599 -4.1351 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1683 -3.2483 1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3205 -1.7977 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4495 -1.2889 1.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4102 -0.4282 2.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1717 0.1768 3.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1393 1.6834 2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2551 2.1936 1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2104 3.7034 1.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3269 4.1590 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4293 1.1077 -6.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 0.9652 -7.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4476 -0.4980 -6.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8113 1.5246 -7.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.2086 -8.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7148 -1.5714 -6.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 -1.2087 -5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2762 1.0490 -4.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 1.7263 -5.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1289 0.9383 -6.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7899 1.4724 -4.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9576 2.6512 -3.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4311 1.8165 -2.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9514 -0.4238 -2.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6391 0.0735 -1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7424 2.2731 -1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1772 3.0626 -1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2817 1.8428 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0556 3.4483 1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8234 4.1631 -0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3788 5.3526 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9077 4.8894 0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2211 3.2435 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4963 4.2075 2.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1836 5.8030 2.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7009 5.5162 4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7901 5.6257 2.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7231 4.0814 4.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 3.2417 2.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2589 2.4122 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7642 3.3679 5.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6529 -0.2672 6.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5452 -0.0450 4.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0468 -2.5132 5.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4184 -2.3941 6.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -3.4027 4.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9821 -1.4202 2.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5165 -0.0548 3.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0918 0.6910 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5403 0.4504 2.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8139 -1.5371 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8396 -0.1240 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9314 -2.7406 1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0233 -2.5719 0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0538 -0.5077 -0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9762 -1.0159 -1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 0.9066 -0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 2.7965 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2602 2.2404 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0642 0.9159 -0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3643 3.8465 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 3.4292 -3.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 0.4316 -2.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 1.0832 -3.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 2.2720 -3.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2578 1.8456 -2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7913 -0.0433 -4.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2291 -0.6526 -2.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2102 -0.5034 -4.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8853 1.2087 -4.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5213 1.8265 -2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8794 0.1175 -2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4511 0.0453 -4.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1313 1.7980 -4.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1914 1.6123 -3.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8649 2.2281 -1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5072 -0.0957 -1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1740 0.5392 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7771 -0.6090 -1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 -2.9357 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 -4.1527 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 -4.6183 2.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5008 -5.8278 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7549 -5.3008 0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1303 -4.1634 0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0377 -7.2225 0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -6.1325 1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -6.8974 -0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 -6.4015 -1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6124 -4.1973 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0335 -4.3348 -0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8114 -4.7539 -3.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0003 -4.0529 -3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0744 -2.9191 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4279 -4.6235 -1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1103 -5.1960 0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9675 -3.5438 2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3354 -1.3230 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5319 -1.5533 -0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4429 -1.6922 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3433 -0.1397 3.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0361 0.0000 4.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3036 -0.2106 2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2474 2.1212 3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0365 2.0834 3.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1904 1.8862 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3852 1.8291 0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1455 4.0730 1.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3775 4.1351 2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6895 5.0533 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9718 3.3841 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3685 4.4618 -0.2431 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 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 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 46 47 1 0 24 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 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 2 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 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 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 1 25104 1 0 25105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 68167 1 0 68168 1 0 69169 1 0 69170 1 0 69171 1 0 M END