HMDB0042880 RDKit 3D TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) 161160 0 0 0 0 0 0 0 0999 V2000 4.9497 -4.8928 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -5.0868 0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -5.6814 -0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7117 -5.0968 -1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -3.7588 -0.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2382 -3.9601 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 -3.6636 0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1115 -3.0425 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 -4.0341 2.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3511 -3.7801 4.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 -2.5095 4.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2211 -2.7601 5.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 -2.0465 4.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4005 -0.7981 4.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3632 -0.8243 3.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2207 -0.4226 1.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 0.1645 1.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5348 -0.5812 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2288 -0.0440 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 1.4080 -0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1565 2.0782 -1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4138 1.5984 -2.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 2.1143 -3.5659 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 0.6450 -2.6217 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 0.1867 -3.8183 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7010 -1.2756 -4.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3279 -1.5359 -4.1095 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2751 -2.7496 -4.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4398 -3.7425 -4.6216 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 -2.9069 -4.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4048 -2.4644 -5.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9038 -2.6385 -5.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5441 -1.8437 -4.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0354 -2.0582 -4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7286 -1.3174 -3.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5199 0.1683 -3.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2251 0.9366 -2.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9811 2.4355 -2.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6554 3.2293 -1.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0482 4.0592 -0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5898 4.3237 -0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3573 5.8059 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9061 6.1863 -1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1806 5.4518 -2.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7429 5.9014 -2.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 5.2101 -3.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4796 0.4841 -3.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0159 -0.0974 -2.6266 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3174 0.0182 -2.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1274 0.6782 -2.9117 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7778 -0.6312 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1762 -0.2185 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5789 -0.8332 0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7255 -0.5761 1.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5341 0.7776 2.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0008 1.8552 1.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7646 3.1579 2.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7682 3.0737 3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3911 2.6782 3.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 2.6062 4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2332 3.9303 4.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2032 3.7522 5.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5685 2.7045 6.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3790 -5.8474 -0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 -4.1812 -0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 -4.5686 0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 -4.2023 0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5739 -5.8474 1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0563 -6.6797 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1895 -5.6241 -2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8237 -3.2560 -0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0969 -3.2061 -1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9148 -4.4125 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7695 -3.8455 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1143 -2.7747 1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 -2.0891 2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -5.0493 2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 -4.6370 4.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7572 -1.7166 3.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1798 -2.2214 5.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -3.7076 5.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -2.4044 5.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7952 -0.0256 4.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4098 -0.3473 3.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3638 -1.2458 3.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0562 -0.5049 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1314 0.2047 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2159 1.2474 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4831 -1.6488 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2748 -0.4014 -0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0279 -0.5773 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4019 -0.2571 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 1.5408 -1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6819 1.9403 0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 2.0981 -0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4224 3.1730 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 0.7363 -4.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 -1.8936 -3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 -1.5459 -5.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 -3.9864 -4.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1274 -2.3656 -3.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0453 -3.1429 -6.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -1.3967 -5.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2136 -3.7014 -5.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2998 -2.2615 -6.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1282 -2.0904 -3.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2809 -0.7754 -4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1831 -3.1485 -4.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4934 -1.8583 -5.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8171 -1.5430 -3.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3355 -1.6878 -2.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4387 0.3801 -3.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9083 0.4587 -4.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3269 0.7831 -2.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9005 0.6481 -1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4617 2.7160 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9203 2.6523 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7606 3.1457 -1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6515 4.6126 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9813 3.6623 -1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2509 4.1417 0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9061 6.3817 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8645 6.0784 -2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7504 7.2584 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4521 5.8432 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1576 4.3438 -2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6888 5.5900 -3.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2369 5.7410 -1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7366 6.9969 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 5.9050 -4.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 4.8445 -2.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 4.3650 -3.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 1.5644 -3.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 0.0175 -4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8394 -1.7371 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0507 -0.5456 -0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9108 -0.7100 -1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3200 0.8264 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6529 -0.5467 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 -1.9487 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7244 -1.0797 1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1101 -1.2263 2.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9181 0.6402 3.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5449 1.0726 2.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8452 2.1461 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 1.5431 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3575 3.8608 1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6867 3.5938 2.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6653 4.1194 3.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1253 2.4817 4.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4457 1.6609 2.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0278 3.3868 2.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 1.7627 4.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 2.4186 3.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1837 4.2693 5.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8593 4.7009 4.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 4.7362 6.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1949 3.5614 5.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 2.9299 7.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 2.6163 7.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1226 1.7280 6.5823 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 2 0 28 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 2 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 25 47 1 0 47 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 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 6 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 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 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END