HMDB0045665 RDKit 3D TG(20:0/14:1(9Z)/18:1(9Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -3.0350 -4.4244 8.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1758 -5.5306 7.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5062 -5.6378 6.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9597 -4.4750 5.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -3.2106 6.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3795 -2.0908 6.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4848 -1.9884 5.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 -1.6208 5.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2868 -1.5679 4.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1577 -1.2062 4.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 -1.1400 3.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 -2.4756 2.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 -2.4210 1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -2.0601 1.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 -2.8899 2.1861 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7074 -0.7687 1.5471 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0369 -0.3827 1.8941 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8218 0.7514 2.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1905 1.8510 2.2321 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 2.9973 2.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0799 2.9357 4.1873 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2353 4.1821 2.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7951 4.4483 2.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1919 4.4913 3.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1809 5.0220 3.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3055 4.4839 3.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8343 3.1201 3.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0827 2.8989 2.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8149 1.7076 2.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1513 0.7052 2.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8292 0.5989 0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1709 -0.7441 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1712 -1.8398 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8007 -3.2258 0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6303 -3.8273 1.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 -5.2547 0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4176 -6.0434 1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0476 -5.4985 0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7028 0.2769 0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7162 -0.5524 -0.4154 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3752 -1.7702 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9957 -2.0913 0.6101 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 -2.6576 -1.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 -2.3798 -2.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3066 -1.0107 -3.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9715 -0.7029 -3.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9152 0.6712 -4.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 0.8298 -4.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2367 2.1354 -5.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7536 2.2588 -5.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9062 2.2361 -4.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4145 2.4071 -5.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 2.4004 -3.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 2.4958 -3.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 3.6756 -4.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3722 4.0282 -5.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8907 2.8539 -6.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 3.2200 -8.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3186 2.2574 -9.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7412 0.8981 -9.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9236 0.0426 -8.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -4.7656 9.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0439 -4.2381 8.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5369 -3.5335 8.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4127 -5.4389 6.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8918 -6.4836 7.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2521 -5.8595 7.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 -6.5802 6.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0384 -4.7436 5.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4425 -4.4679 4.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6687 -3.1625 7.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5029 -1.2047 7.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4168 -2.8663 4.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8658 -1.1236 4.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 -2.4386 6.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 -0.6602 6.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6994 -0.8581 3.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3054 -2.5684 3.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1284 -0.2587 5.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 -2.0035 5.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 -0.7203 3.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 -0.4225 2.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -3.2390 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0132 -2.7730 2.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 -3.4400 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -1.7552 0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6337 -1.1583 2.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7927 1.0245 3.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 0.3904 3.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6301 4.3155 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 5.0740 2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 3.7708 1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 5.4825 1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 5.2048 4.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2826 3.5290 4.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 5.1170 4.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 6.1583 3.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1166 4.5435 1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1963 5.1837 3.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1629 3.1472 4.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1358 2.2996 3.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8114 2.8902 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7587 3.7826 2.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1285 1.6445 4.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -0.0949 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8095 0.5799 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 1.4065 0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9036 -0.7371 -0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -0.8676 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1523 -1.6153 0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3914 -1.8158 1.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6457 -3.3590 -0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6867 -3.8760 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -3.3012 0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7158 -3.8684 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4339 -5.3140 -0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4791 -5.7507 0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5726 -6.2250 2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4752 -7.0701 0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3961 -5.2157 1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0178 -4.6688 0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6156 -6.3068 0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1224 1.1977 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6899 0.6427 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3254 -2.7179 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5709 -3.7018 -1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3415 -3.1745 -3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -2.4251 -2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0882 -0.9959 -4.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6006 -0.2101 -2.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7387 -1.4189 -4.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2051 -0.7133 -3.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5928 0.7634 -5.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 1.4128 -3.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8693 0.7007 -4.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2521 -0.0478 -5.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8716 2.2657 -6.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4304 2.9511 -4.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 1.4337 -6.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 3.2033 -6.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 3.0965 -4.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9641 1.2761 -4.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4118 3.3593 -5.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 1.5910 -5.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 3.2962 -3.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 1.5070 -3.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1951 1.5587 -4.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2614 2.3044 -2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 3.6205 -4.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2111 4.6062 -3.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0757 4.9087 -6.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3989 4.3709 -6.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9138 2.6346 -6.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 1.9711 -6.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 3.3731 -8.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2061 4.2620 -8.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2877 2.7315 -10.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 2.1549 -9.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6318 0.9428 -9.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 0.3177 -10.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2727 -0.9973 -8.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7062 0.4420 -7.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9933 -0.0892 -7.4661 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 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 1 0 28 29 1 0 29 30 2 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 17 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 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 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 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 17 87 1 1 18 88 1 0 18 89 1 0 22 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 24 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 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 38122 1 0 39123 1 0 39124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 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