HMDB0110345 RDKit 3D TG(19:0/16:0/20:0) 176175 0 0 0 0 0 0 0 0999 V2000 -1.5889 -11.9801 0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4705 -10.9918 0.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 -10.4810 2.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 -9.4827 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7754 -8.9779 3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8809 -8.3205 4.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1814 -7.0608 3.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7228 -7.0296 2.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4812 -5.7084 2.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3898 -5.4367 3.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1662 -4.2109 3.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4311 -2.9688 3.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -2.3242 4.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5624 -2.9336 4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1352 -1.8593 5.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0188 -2.1607 6.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3468 -2.3632 6.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8581 -1.1960 5.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 0.0730 6.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4703 1.2130 5.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 0.9681 4.2043 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3812 2.5119 5.6896 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 3.6683 5.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2218 3.8732 3.6924 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8448 5.0484 3.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 5.2165 1.7092 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1863 5.6620 1.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 6.0060 2.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8181 5.7755 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 6.6966 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2157 6.6635 -1.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8558 7.6690 -2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2827 7.4880 -3.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0094 6.1481 -3.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2973 6.1595 -3.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 4.9116 -3.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4701 3.7085 -2.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 2.5005 -2.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 1.3761 -1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5158 0.0987 -1.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6972 -0.5137 -3.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3448 -0.8466 -3.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5473 -1.5054 -5.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2103 -1.8469 -5.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3697 -2.5187 -7.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1439 -3.8028 -7.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8243 3.9219 3.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 2.9624 3.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7616 2.0449 2.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 2.7992 2.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9601 3.3814 1.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3409 2.8671 0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 1.3658 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 1.2004 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 -0.1798 -1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2427 -0.1681 -2.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 0.6711 -3.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4868 0.7024 -5.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8515 1.3073 -5.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6205 1.2999 -6.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9931 1.9134 -6.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8308 1.1876 -5.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2143 1.7989 -5.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1852 3.2375 -4.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2891 -11.6501 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 -11.9927 0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 -12.9799 1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2802 -11.5165 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 -10.1635 0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5101 -11.3806 2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 -10.0638 2.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 -8.7814 0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -10.1466 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2637 -9.8597 3.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 -8.2775 2.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 -8.1487 4.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1015 -9.0503 4.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8973 -6.1700 3.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4646 -6.8228 4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1023 -7.0867 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4809 -7.8134 2.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 -4.9083 2.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 -5.7561 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 -5.3649 4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0746 -6.3420 3.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8718 -4.4437 2.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9562 -4.0765 4.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 -3.0734 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1997 -2.2331 2.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -1.9251 4.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -1.2942 3.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9564 -3.7536 5.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 -3.2317 4.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -1.6818 6.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 -0.9262 5.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -3.1484 7.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 -1.4639 7.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3182 -3.2784 5.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0763 -2.5687 6.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1785 -1.0576 4.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8494 -1.4440 4.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 0.4060 6.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 -0.0320 6.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 4.5758 5.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9363 3.5911 4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 2.9750 3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9655 4.8441 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7194 5.9923 3.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 4.8676 -0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6954 6.3575 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1788 6.3968 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9039 7.7467 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1038 5.6226 -2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0961 6.8761 -2.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3838 8.6766 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6788 7.6348 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 8.2727 -3.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 7.4257 -4.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3602 5.2920 -3.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2862 6.1300 -4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 6.3819 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8812 7.0279 -3.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3356 4.7310 -4.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0944 5.1283 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 3.4774 -2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 3.9196 -1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5277 2.2522 -3.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3721 2.7132 -2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 1.2138 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5914 1.7526 -0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5088 0.2802 -1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 -0.6361 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2711 0.1756 -3.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2566 -1.4645 -3.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7773 0.1006 -3.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7332 -1.4877 -3.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0229 -0.7421 -5.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1844 -2.3979 -5.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6548 -0.8929 -5.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6067 -2.5034 -5.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8576 -1.8669 -7.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 -2.7442 -7.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 -4.0956 -5.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5513 -4.6184 -7.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -3.7426 -7.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7232 1.7316 3.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9074 3.3086 3.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9486 4.4862 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0429 3.0874 1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7467 3.1623 0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 3.3535 -0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0664 0.7433 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5211 1.1316 0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 1.6706 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2205 1.8409 -1.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5846 -0.5863 -1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9539 -0.8440 -0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 0.2747 -2.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 -1.2057 -3.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3817 0.3299 -4.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5339 1.7467 -3.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6357 -0.3058 -5.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0043 1.3213 -6.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 0.7592 -4.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7031 2.3738 -4.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 1.7956 -7.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7572 0.2356 -6.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9529 3.0031 -6.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4825 1.7971 -7.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3453 1.2388 -4.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9424 0.1308 -5.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7889 1.6740 -5.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7251 1.1982 -4.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4005 3.8578 -5.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2622 3.5182 -4.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0303 3.4024 -3.9084 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 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 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 45 46 1 0 24 47 1 0 47 48 1 0 48 49 2 0 48 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 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 6 77 1 0 7 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 9 83 1 0 10 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 12 89 1 0 13 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 15 95 1 0 16 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 18100 1 0 18101 1 0 19102 1 0 19103 1 0 23104 1 0 23105 1 0 24106 1 6 25107 1 0 25108 1 0 29109 1 0 29110 1 0 30111 1 0 30112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 35121 1 0 35122 1 0 36123 1 0 36124 1 0 37125 1 0 37126 1 0 38127 1 0 38128 1 0 39129 1 0 39130 1 0 40131 1 0 40132 1 0 41133 1 0 41134 1 0 42135 1 0 42136 1 0 43137 1 0 43138 1 0 44139 1 0 44140 1 0 45141 1 0 45142 1 0 46143 1 0 46144 1 0 46145 1 0 50146 1 0 50147 1 0 51148 1 0 51149 1 0 52150 1 0 52151 1 0 53152 1 0 53153 1 0 54154 1 0 54155 1 0 55156 1 0 55157 1 0 56158 1 0 56159 1 0 57160 1 0 57161 1 0 58162 1 0 58163 1 0 59164 1 0 59165 1 0 60166 1 0 60167 1 0 61168 1 0 61169 1 0 62170 1 0 62171 1 0 63172 1 0 63173 1 0 64174 1 0 64175 1 0 64176 1 0 M END