HMDB0045143 RDKit 3D TG(18:0/20:2n6/20:4(5Z,8Z,11Z,14Z)) 173172 0 0 0 0 0 0 0 0999 V2000 0.2644 -2.1145 -3.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4817 -2.8708 -1.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -2.5008 -0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8747 -2.8388 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7146 -2.3655 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1177 -2.6657 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0905 -1.8133 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8276 -0.2983 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5779 0.1913 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4757 1.1639 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8139 1.8864 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5301 3.3284 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6006 4.0697 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6738 3.5512 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7228 4.3387 2.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6623 4.9444 3.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3504 4.8765 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8687 6.3064 2.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 6.1945 1.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8139 5.5514 0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1646 6.3380 -0.7669 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7703 4.2264 -0.1423 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1109 3.7976 -1.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 2.1988 -1.4706 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6097 1.8934 -2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1606 0.6213 -3.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6033 0.3182 -4.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 1.1943 -5.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 -0.9340 -4.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4457 -1.1583 -6.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1553 -1.4542 -6.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5782 -2.7640 -6.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3362 -3.1252 -7.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 -4.4441 -6.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -4.9666 -7.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5818 -4.0491 -7.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -4.7217 -7.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9697 -3.8308 -7.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4028 -3.3470 -6.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6142 -2.4753 -6.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2109 -1.8523 -5.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1651 -0.9729 -4.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 -0.2478 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4899 0.5747 -3.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 1.3740 -1.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 1.8661 -0.3688 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 1.4665 0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0472 1.4502 0.8143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0162 1.0725 2.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9871 0.9084 3.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6275 0.4239 4.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 1.3119 4.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 0.7747 6.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6117 0.6191 7.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 1.9063 8.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4283 1.6107 9.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1809 0.8248 9.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 1.4724 8.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7444 1.0468 7.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 -0.1551 7.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6502 -1.1337 7.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4947 -1.4285 6.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -0.8161 4.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2488 -1.7957 3.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 -0.9564 2.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1585 -1.7315 1.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2979 -0.7071 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5172 -2.7298 -4.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9906 -1.2521 -3.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7311 -1.6878 -3.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5454 -2.7400 -1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3964 -3.9589 -2.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 -1.3947 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1184 -3.0264 0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1471 -2.2692 -2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 -3.8871 -1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -1.3260 0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2971 -2.9610 0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3795 -3.7553 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1169 -2.1498 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2626 0.0036 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7821 -0.0629 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3884 -0.2741 -2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9719 1.4387 -2.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 1.7477 0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2019 1.5405 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1771 3.8015 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 5.1330 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 3.5660 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8543 2.4846 1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6579 4.4354 3.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7575 5.5067 4.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6405 4.5649 3.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2045 4.2404 1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 6.7857 1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7631 6.8867 3.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 7.1538 1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1154 5.5804 2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 4.0697 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0605 4.1395 -1.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0594 2.0012 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3099 2.6987 -3.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7576 1.9742 -3.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8897 -1.8447 -4.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3267 -0.8363 -4.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2136 -1.9052 -6.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8083 -0.1873 -6.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 -0.6008 -6.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 -1.6015 -7.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3663 -3.5347 -6.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5128 -2.8342 -5.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4456 -2.3415 -7.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 -3.2802 -8.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2104 -4.5116 -5.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 -5.1865 -6.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -5.3185 -8.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7142 -5.8994 -6.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4097 -3.0564 -7.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8567 -3.8811 -6.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0463 -5.6599 -7.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4928 -5.0227 -8.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8491 -4.4143 -8.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8071 -2.9252 -8.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5879 -2.8137 -6.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -4.1848 -5.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3107 -1.7086 -7.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3456 -3.1270 -7.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6801 -2.5713 -4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0214 -1.1469 -5.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2733 -1.5894 -4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -0.2100 -5.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0562 -0.9115 -2.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4726 0.4701 -3.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1504 1.2378 -3.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 -0.0911 -2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 1.6236 -1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3073 2.3364 -2.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4145 0.7970 -1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6011 1.9843 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6512 0.2062 1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2675 0.1417 2.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 1.8556 3.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 -0.6188 4.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.4283 5.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3881 2.3519 5.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5281 1.4125 4.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9439 -0.1856 5.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 1.4936 6.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2921 0.1811 8.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7465 -0.0612 7.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9234 2.6105 8.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4133 2.3549 7.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 2.5594 9.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1959 1.0292 9.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 -0.2317 8.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0364 0.6540 10.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 2.4431 9.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6464 1.6568 7.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6201 -0.7000 7.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 0.0892 5.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7964 -1.6619 8.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2872 -2.2008 6.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 0.0891 4.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.4070 4.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 -2.1542 3.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -2.5777 3.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -0.1207 2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3531 -0.4632 2.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -2.1614 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9057 -2.5196 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 -0.3424 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -1.1259 -0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6593 0.1513 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 42 43 1 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 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 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 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 1 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 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 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 45138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 67173 1 0 M END