HMDB0050324 RDKit 3D TG(20:1(11Z)/15:0/18:3(6Z,9Z,12Z)) 162161 0 0 0 0 0 0 0 0999 V2000 6.7323 -2.5063 -6.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1650 -2.1926 -5.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4846 -2.5028 -4.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9481 -2.2151 -4.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2034 -2.5643 -2.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -3.9978 -2.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8868 -4.4676 -1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 -3.6552 -0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6915 -3.7223 -1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -2.6468 -1.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5426 -1.2593 -1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7615 -0.5663 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0662 0.5025 -0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9253 1.2728 -1.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4424 2.6744 -1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7442 3.5303 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4677 4.1737 -0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 3.6266 -1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0711 2.9483 -2.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0115 3.7851 -0.3957 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1868 3.2632 -0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3876 3.5683 -0.1152 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5459 2.8706 1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8844 1.5073 1.0942 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0463 0.7331 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 1.3075 3.3362 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4347 -0.6838 2.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 -1.6167 3.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 -1.3224 4.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 -2.3901 5.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4364 -2.2911 6.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 -1.1440 7.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3403 -0.4636 7.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 0.2647 6.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3307 -0.4048 4.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9888 0.6762 3.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5825 1.0432 2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 0.4653 2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9459 -0.1465 0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 -0.7480 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 -1.3718 -1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0256 -1.9058 -1.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3942 -2.5623 -3.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -3.1213 -3.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 -4.1330 -3.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6266 3.2583 -0.8025 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5837 4.2357 -0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3425 5.3759 -0.4751 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 4.0619 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8345 5.1728 -1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2872 5.4075 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1122 4.4167 0.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5783 3.0429 0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6798 2.3024 1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2883 0.8678 1.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0422 0.0975 0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6966 -1.3408 1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4181 -2.1424 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 -3.5855 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8384 -4.2708 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0073 -4.1742 -2.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2722 -4.7941 -1.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 -1.6013 -6.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7006 -3.1948 -7.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -3.0454 -5.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8463 -2.8021 -6.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3474 -1.1177 -6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8444 -1.9467 -3.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2400 -3.5812 -4.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6289 -2.7537 -4.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0855 -1.0955 -4.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2971 -2.4537 -2.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5841 -1.8710 -2.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2634 -4.7495 -3.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6320 -5.5524 -1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2565 -4.2135 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5554 -2.6822 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2157 -4.7267 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 -2.7876 -1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5795 -1.1783 -1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -0.7786 -2.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8257 -1.0972 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5721 0.8674 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6037 0.8351 -2.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 1.2515 -2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5364 2.5876 -1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3817 3.1724 -2.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7501 3.0527 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4839 4.4008 -0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 5.0395 -1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2437 4.8800 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1162 2.1786 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 3.7457 -1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4273 4.6762 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 3.1005 1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4747 3.3494 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5107 -0.8221 2.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3546 -1.0665 1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2515 -2.6176 2.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6775 -1.9509 2.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -0.3180 4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5736 -1.4989 4.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2275 -3.3967 4.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2524 -2.5834 4.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2975 -3.1682 6.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 -2.7306 7.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 -0.2744 7.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1115 -1.4186 8.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3329 0.3273 8.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1762 -1.1603 7.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 0.8803 6.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1641 1.1003 5.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1324 -1.1508 5.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -0.8048 4.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8709 1.2033 4.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 1.8478 2.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -0.2271 2.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 1.3644 1.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 0.7447 0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7771 -0.8287 0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3902 -1.5651 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 -0.0085 -0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8803 -2.2303 -1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7331 -0.6028 -1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4508 -2.6246 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6842 -1.0349 -2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 -1.8247 -3.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0874 -3.3934 -2.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4557 -3.6153 -4.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 -2.2423 -4.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7233 -4.6390 -2.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9757 -4.8699 -3.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 -3.5867 -2.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3002 3.0743 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6172 4.2201 -2.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6957 5.0196 -2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3394 6.1041 -1.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3448 5.6162 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8507 6.4104 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1388 4.3545 0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4260 4.8958 1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7019 3.1034 1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4265 2.5114 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8091 2.8649 2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6076 2.3746 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4445 0.8710 2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1425 0.3991 2.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9544 0.1365 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2323 0.5145 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5413 -1.8122 1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8281 -1.3991 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5368 -1.7056 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3366 -2.1081 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1607 -3.6677 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8733 -4.1114 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9959 -3.7261 -1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5392 -5.3141 -1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1484 -3.1231 -2.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7253 -4.7425 -3.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1541 -5.4010 -0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0562 -4.0055 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7565 -5.4612 -2.4292 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 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 43 44 1 0 44 45 1 0 22 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 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 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 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 21 92 1 0 21 93 1 0 22 94 1 1 23 95 1 0 23 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 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 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 45133 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 55147 1 0 56148 1 0 56149 1 0 57150 1 0 57151 1 0 58152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 62162 1 0 M END