HMDB0043304 RDKit 3D TG(15:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 164163 0 0 0 0 0 0 0 0999 V2000 3.2445 7.4134 -5.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 7.1904 -5.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 6.1919 -6.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 5.0434 -6.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3498 4.6196 -5.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 4.3780 -5.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5933 3.1959 -5.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8975 2.0236 -5.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9001 0.8728 -6.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4243 -0.2690 -5.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0433 -0.4913 -4.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -1.5670 -3.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9627 -2.6254 -3.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4083 -2.9009 -3.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5886 -4.1004 -4.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2034 -5.1965 -3.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7976 -5.3358 -2.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0114 -6.4727 -1.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -6.0363 -1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6658 -7.0152 -1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0553 -8.1995 -1.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -6.6394 -0.7526 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -7.4677 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -6.6924 0.1979 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4744 -5.9073 1.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6801 -5.4787 2.0329 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8687 -4.6701 3.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -4.2148 3.6771 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1769 -4.2527 3.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.8695 4.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7539 -1.8435 3.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5188 -0.4458 3.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3619 0.5189 2.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 1.8897 3.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9581 2.8805 1.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 2.5764 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5436 2.4984 1.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2423 2.1682 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 2.1214 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4406 1.7174 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9437 1.6807 -0.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6936 1.2905 -2.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3772 -5.9000 -0.7245 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6064 -5.7333 -1.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4764 -6.5377 -0.7187 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0645 -4.8004 -2.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2217 -3.7552 -2.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -2.6015 -2.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8191 -2.9514 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 -1.6808 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 -2.1762 0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -1.1743 1.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 -2.0132 2.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -1.3972 3.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 -0.3237 3.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 0.8382 4.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5381 1.1969 5.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 2.4652 5.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4788 3.7283 5.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 4.1811 4.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5593 4.4716 3.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5592 5.6099 3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4676 5.9776 1.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7936 6.4430 1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 8.0533 -4.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7198 6.4275 -5.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 7.9058 -6.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2479 7.0201 -4.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4401 8.2206 -6.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1471 6.4171 -7.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0434 4.3692 -7.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 3.7279 -5.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4303 5.4468 -4.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 5.2124 -6.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6391 3.0626 -5.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 2.2138 -4.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 1.8424 -4.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4475 1.0036 -7.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 -1.1219 -6.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0929 0.3509 -3.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -0.7580 -4.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 -1.4280 -3.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3647 -3.3872 -2.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 -3.1648 -2.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0356 -2.0478 -3.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1795 -4.0973 -5.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2979 -6.0633 -4.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8156 -5.8288 -2.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -4.4944 -2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4547 -6.6706 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0679 -7.3984 -2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 -5.1209 -1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1537 -5.6876 -2.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 -8.3381 -0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1547 -7.9257 0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5556 -7.4450 0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0188 -6.6066 2.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7087 -5.1571 1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -4.0946 2.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -4.9890 4.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2711 -2.8593 5.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0128 -2.6468 4.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 -2.1582 2.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 -1.7783 2.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -0.1183 4.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6194 -0.4642 4.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 0.5936 2.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6889 0.1888 1.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 1.9834 3.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 2.2225 3.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 3.8577 2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 3.0527 1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 1.6864 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0705 3.4118 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 1.6847 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 3.4174 1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 1.1778 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 2.9515 -0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 3.1803 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 1.5184 1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2004 2.3951 -1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1366 0.6959 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3216 2.6481 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1983 0.9219 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2012 0.4611 -2.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9018 2.1806 -2.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6995 0.8691 -1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0889 -4.4174 -1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3764 -5.4672 -3.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 -3.3806 -3.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 -4.2888 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5821 -2.0351 -1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2003 -1.9106 -2.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 -3.4467 -0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -3.6169 -1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 -1.1321 0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 -1.0643 -0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9895 -2.8793 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4293 -2.7680 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6155 -0.7726 2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -0.3920 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4842 -2.9065 3.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8739 -2.5329 2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3481 -2.2418 4.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9647 -1.1529 4.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5532 -0.4673 3.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3667 1.5423 4.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 1.3501 6.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8335 0.3714 5.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2562 2.5383 4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 2.4021 5.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7633 3.6866 6.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7432 4.6084 5.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 5.2311 5.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6252 3.6643 4.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3215 3.5900 2.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5416 4.8594 2.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5776 5.3706 3.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 6.5071 3.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7879 6.8775 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 5.2205 0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 6.8025 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 7.3149 1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5378 5.6456 0.9189 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 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 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 24 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 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 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 1 25 97 1 0 25 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 42127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 53142 1 0 53143 1 0 54144 1 0 54145 1 0 55146 1 0 56147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 59152 1 0 59153 1 0 60154 1 0 60155 1 0 61156 1 0 61157 1 0 62158 1 0 62159 1 0 63160 1 0 63161 1 0 64162 1 0 64163 1 0 64164 1 0 M END