HMDB0044682 RDKit 3D TG(18:0/14:0/20:2n6) 163162 0 0 0 0 0 0 0 0999 V2000 -0.7342 -1.9916 -1.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4698 -2.0782 -3.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7464 -1.2750 -3.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7347 -1.7263 -2.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1069 -3.1740 -2.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0613 -3.6014 -1.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2677 -4.0511 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8494 -4.1863 -2.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1559 -3.4891 -2.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4420 -2.5145 -3.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4652 -1.8892 -4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4379 -0.3705 -4.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4473 0.2683 -5.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4604 1.7776 -5.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1715 2.3182 -3.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8174 2.0517 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7149 2.6296 -1.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 2.4272 -1.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2795 2.9550 0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 2.7296 0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 2.5333 -0.1863 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5328 2.7123 1.9674 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2861 2.5178 2.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 3.5391 2.3318 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5417 4.7706 3.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 4.2033 4.5239 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 4.8485 5.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 6.0973 5.7212 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2579 4.1640 7.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5398 2.7135 6.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6044 1.9305 6.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2197 0.4551 6.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4053 -0.2345 5.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 -1.7119 5.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 -2.3060 4.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 -3.7617 4.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 -4.4018 3.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -3.7108 2.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6418 -4.3990 1.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8913 -4.4120 2.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3527 -3.0396 2.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6034 -2.9977 3.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3680 -3.7357 4.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5780 -3.7296 5.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1913 -4.5163 7.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 3.9046 1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 3.8268 0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 3.3826 1.4732 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9232 4.1911 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 4.2196 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8413 5.2021 -1.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 5.2811 -2.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2006 5.7923 -4.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 5.2072 -4.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0457 3.7376 -5.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2132 3.3185 -6.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1746 1.8508 -6.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1835 0.9792 -5.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1185 -0.4963 -5.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 -1.1524 -6.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3443 -0.7590 -7.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1969 -2.6022 -1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3334 -2.2632 -0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -0.9352 -1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 -3.1512 -3.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8335 -1.7096 -3.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2207 -1.3595 -4.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5159 -0.2205 -2.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2485 -1.6315 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5946 -1.0631 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1613 -3.7588 -2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -3.4116 -3.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7189 -3.5305 -0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8827 -4.3433 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1323 -5.2979 -2.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1743 -4.0413 -3.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9919 -3.8771 -2.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4613 -2.1164 -3.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4605 -2.2317 -4.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7415 -1.9694 -5.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4580 0.0285 -4.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2660 -0.2060 -3.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4123 -0.0672 -5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6919 0.0355 -6.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4093 2.1595 -5.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 2.1395 -5.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9582 2.0614 -3.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2573 3.4451 -3.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 2.5622 -3.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5425 0.9925 -3.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4506 2.0904 -1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9443 3.7073 -1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6145 2.9234 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0752 1.3311 -1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5925 4.0017 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 2.3694 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1612 1.5206 2.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4745 2.4650 3.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 3.1149 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3021 5.3744 2.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 5.3078 3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6788 4.2664 7.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 4.6579 7.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 2.3295 7.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5026 2.4911 6.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0182 2.3411 5.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4185 1.8996 7.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.0260 7.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6142 0.4183 5.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 -0.1276 6.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 0.2487 4.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1707 -1.8279 4.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -2.1921 6.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -1.7489 3.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1317 -2.2493 5.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9018 -4.2606 5.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -3.8906 3.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8514 -5.4406 3.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0562 -4.4903 4.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7909 -2.6552 2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 -3.7261 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8514 -3.9144 0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3404 -5.4476 1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7026 -4.8638 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7548 -5.1055 3.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 -2.5622 3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4672 -2.3774 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 -1.9426 3.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4584 -3.4558 3.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1412 -4.8085 4.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4670 -3.3571 5.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4578 -4.1311 5.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7101 -2.6664 6.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3559 -3.9484 8.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1276 -4.7944 7.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7682 -5.4676 7.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 5.1613 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 3.4446 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4851 3.1683 -1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4352 4.3816 -2.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3285 5.0785 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 6.2496 -1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 5.9360 -2.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 4.2343 -2.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3601 6.9243 -3.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 5.7636 -4.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0791 5.7063 -5.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2926 5.4462 -4.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 3.1620 -4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 3.6359 -5.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1555 3.5126 -5.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 3.9269 -6.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3443 1.6729 -7.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1268 1.6471 -7.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 1.2001 -4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3424 1.3059 -4.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -0.9520 -4.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 -0.7930 -5.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0761 -2.2807 -6.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2094 -1.0310 -5.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -1.7025 -8.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 -0.2779 -8.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 -0.1691 -7.8346 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 1 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 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 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 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 12 82 1 0 13 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 1 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 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 61163 1 0 M END