HMDB0049171 RDKit 3D TG(18:1(11Z)/20:0/18:4(6Z,9Z,12Z,15Z)) 169168 0 0 0 0 0 0 0 0999 V2000 4.3286 3.8725 -2.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9655 4.3376 -1.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2108 4.4169 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 5.4553 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 6.8255 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8349 7.1378 1.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7847 7.5100 1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4623 7.7751 1.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0713 7.7340 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1305 7.0015 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 6.0465 0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 4.7278 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8434 4.1291 -0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1382 4.8004 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8659 3.8042 0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 4.3711 1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7872 3.4263 1.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9374 2.8947 3.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6397 2.4015 4.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 2.8135 3.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 2.6661 3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8904 1.2043 3.7395 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3369 0.7318 5.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7033 0.3925 5.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -0.6854 4.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2179 -1.3231 3.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -1.1052 4.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0402 -0.8434 2.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2952 -1.6276 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8162 -1.2478 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0446 -2.0801 -0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3187 -3.5520 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4286 -4.2777 -1.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -4.1979 -1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7381 -4.9459 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 -4.8876 0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -5.9389 0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0244 -7.2905 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0321 -8.2873 1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4457 -9.6024 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4457 -10.7424 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 -10.5704 3.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7551 -10.3736 2.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5388 1.4274 3.7316 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2391 1.0021 2.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5366 0.4736 1.6741 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6767 1.1301 2.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 0.6904 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9706 -0.7374 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6727 -1.1599 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3279 -2.6198 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9171 -2.8543 -1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5262 -2.3474 -2.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2712 -3.1381 -3.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -2.9841 -5.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2798 -1.7922 -5.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 -0.5080 -5.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0289 0.5012 -6.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 1.8252 -6.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 2.5328 -5.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0576 3.9067 -5.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 3.8368 -5.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0576 5.2134 -5.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 5.1283 -5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2343 4.2688 -4.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3509 3.3966 -2.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6446 3.0580 -3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 4.6671 -3.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3129 5.1954 -1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 3.4755 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8076 3.4750 -0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6347 5.4254 0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8268 7.4963 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 6.7954 -0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7761 7.0216 1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9245 7.6618 3.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2015 8.8897 1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 7.2595 2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6134 8.4260 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9547 7.0902 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 6.4245 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 5.7956 1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2147 4.2552 -0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 3.1910 -1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 5.8072 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7043 4.7694 -1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2223 2.9707 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 3.2988 1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7847 5.3077 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7771 4.7215 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3044 2.5924 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6095 4.0592 2.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1873 3.1155 4.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 3.1839 2.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 0.6781 2.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1579 1.5171 5.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7971 -0.1639 5.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5807 -2.2132 4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2245 -0.6092 4.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 -1.2054 2.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0587 0.2305 2.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 -1.3643 1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4588 -2.6934 1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9003 -1.4699 0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6816 -0.1697 0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -1.7005 -1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 -1.8307 -0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3346 -4.0057 0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3632 -3.6808 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 -5.3021 -1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5206 -3.7410 -2.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -3.1968 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 -4.7552 -2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -4.3592 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2153 -5.9191 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1021 -3.9330 0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4545 -5.8086 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7922 -7.6807 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9336 -7.3864 -0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 -8.4340 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -7.9424 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -9.4209 0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 -9.8572 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -10.9627 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8423 -11.6340 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -11.4967 3.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 -9.6890 3.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2886 -11.3491 3.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2401 -9.6430 3.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0064 -10.1346 1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 2.1975 2.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2388 0.5530 3.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 0.7887 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9575 1.3945 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 -1.0585 0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4868 -1.3533 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 -0.5135 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7574 -1.1199 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6416 -3.2056 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 -2.9548 -1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7234 -3.9427 -1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1826 -2.4063 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 -1.2683 -2.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4446 -2.4851 -2.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3979 -2.9077 -3.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -4.2512 -3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 -3.8851 -5.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -3.2932 -5.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -1.5915 -5.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1133 -2.0148 -6.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 -0.5757 -5.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8676 -0.0539 -4.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 0.5720 -6.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 0.0268 -7.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8091 2.4964 -7.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2928 1.7648 -6.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8024 2.6196 -5.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3879 1.8912 -4.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 4.2807 -4.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 4.6109 -5.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 3.1692 -4.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6739 3.4093 -6.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 5.6005 -4.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5982 5.9216 -5.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9411 6.1711 -5.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 4.8504 -6.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7904 3.4321 -4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0132 4.8329 -3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5205 3.8010 -3.6341 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 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 2 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 22 44 1 0 44 45 1 0 45 46 2 0 45 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 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 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 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 21 93 1 0 21 94 1 0 22 95 1 6 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 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 37117 1 0 38118 1 0 38119 1 0 39120 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 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 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 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 65169 1 0 M END